N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-[(E)-1-(4-methoxyphenyl)ethylideneamino]amine Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=CC=C2)/C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N5OS/c1-13(15-8-10-16(24-2)11-9-15)20-21-17-19-18(23-22-17)25-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H2,19,21,22,23)/b20-13+