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

Systemtic Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(4-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(pyridin-4-ylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: [(E)-1-(4-methoxyphenyl)ethylideneamino]-[3-(4-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6OS/c1-12(14-3-5-15(24-2)6-4-14)20-21-16-19-17(23-22-16)25-11-13-7-9-18-10-8-13/h3-10H,11H2,1-2H3,(H2,19,21,22,23)/b20-12+