3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-(3-bromophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-(3-bromophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H13BrN6S MolecularWeight: 401.28362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C16H13BrN6S/c17-11-5-3-4-10(8-11)15-21-22-16(23(15)18)24-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9,18H2,(H,19,20)