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

Systemtic Name: 3-(phenylmethylsulfanyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-[(E)-1-(2-pyridyl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-(phenylmethylthio)-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-[(E)-1-(2-pyridyl)ethylideneamino]amine Formula: C16H16N6S MolecularWeight: 324.40344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=CC=C2)/C3=CC=CC=N3

InChI

InChI=1S/C16H16N6S/c1-12(14-9-5-6-10-17-14)19-20-15-18-16(22-21-15)23-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20,21,22)/b19-12+