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

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-[(E)-1-(4-bromophenyl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-[(E)-1-(4-bromophenyl)ethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-[(E)-1-(4-bromophenyl)ethylideneamino]amine Formula: C17H16BrN5S MolecularWeight: 402.31144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN5S/c1-12(14-7-9-15(18)10-8-14)20-21-16-19-17(23-22-16)24-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21,22,23)/b20-12+