3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C17H14ClN5S MolecularWeight: 355.84456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCC3=NNC(=S)N3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCC3=NNC(=S)N3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H14ClN5S/c18-11-4-3-5-12(10-11)23-16(21-22-17(23)24)9-8-15-19-13-6-1-2-7-14(13)20-15/h1-7,10H,8-9H2,(H,19,20)(H,22,24)