3-(benzotriazol-1-ylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(benzotriazol-1-ylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzotriazol-1-ylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-benzotriazolylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzotriazol-1-ylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(benzotriazol-1-ylmethyl)-4-(4-bromophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H11BrN6S MolecularWeight: 387.25704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C15H11BrN6S/c16-10-5-7-11(8-6-10)22-14(18-19-15(22)23)9-21-13-4-2-1-3-12(13)17-20-21/h1-8H,9H2,(H,19,23)