2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C22H16ClN5S MolecularWeight: 417.91394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NNC(=C3C4=CC=NC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NNC(=C3C4=CC=NC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H16ClN5S/c23-16-7-5-15(6-8-16)21-20(14-9-11-24-12-10-14)22(28-27-21)29-13-19-25-17-3-1-2-4-18(17)26-19/h1-12H,13H2,(H,25,26)(H,27,28)