2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C22H15Cl2N5S MolecularWeight: 452.359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H15Cl2N5S/c23-15-7-5-14(6-8-15)21-27-28-22(29(21)17-11-9-16(24)10-12-17)30-13-20-25-18-3-1-2-4-19(18)26-20/h1-12H,13H2,(H,25,26)