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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > aryl sulfide > 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-n-[(phenylmethylene)amino]-4-triazolecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > organic sulfide > aryl sulfide > 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-n-[(phenylmethylene)amino]-4-triazolecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfide > organic sulfide > aryl sulfide > 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-n-[(phenylmethylene)amino]-4-triazolecarboxamide

Preferred term

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-n-[(phenylmethylene)amino]-4-triazolecarboxamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H18N8O2S

inchi

  • InChI=1S/C20H18N8O2S/c1-13-7-9-15(10-8-13)31-12-16-17(23-27-28(16)19-18(21)25-30-26-19)20(29)24-22-11-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,21,25)(H,24,29)

inchikey

  • QERPLXGPAAXKLD-UHFFFAOYSA-N

mass

  • 434.476

monoisotopicmass

  • 434.12734

smiles

  • CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112985

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