1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(phenylmethylidene)amino]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(phenylmethylidene)amino]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-(p-tolylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-N-[(E)-(phenylmethylene)amino]-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-N-[(E)-benzalamino]-5-[(p-tolylthio)methyl]triazole-4-carboxamide Formula: C20H18N8O2S MolecularWeight: 434.47432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4

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)/b22-11+