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

Systemtic Name: 3-[(2-methoxyphenyl)methylsulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-methoxyphenyl)methylsulfanyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-methoxyphenyl)methylthio]-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-methoxyphenyl)methylsulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-(o-anisylthio)-1H-1,2,4-triazol-5-yl]-[(E)-1-(4-pyridyl)ethylideneamino]amine Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=CC=C2OC)C3=CC=NC=C3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=CC=C2OC)/C3=CC=NC=C3

InChI

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