3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-chlorophenyl)methylthio]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-[(E)-1-phenylethylideneamino]amine Formula: C17H16ClN5S MolecularWeight: 357.86044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=CC=C2Cl)/C3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5S/c1-12(13-7-3-2-4-8-13)20-21-16-19-17(23-22-16)24-11-14-9-5-6-10-15(14)18/h2-10H,11H2,1H3,(H2,19,21,22,23)/b20-12+