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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3-bromophenyl)methylthio]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]-[(E)-1-phenylethylideneamino]amine Formula: C17H16BrN5S MolecularWeight: 402.31144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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