6-(2,4-dichlorophenyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(2,4-dichlorophenyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-(2,4-dichlorophenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(2,4-dichlorophenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(2,4-dichlorophenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-(2,4-dichlorophenyl)-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]nicotinonitrile Formula: C22H16Cl2N4OS MolecularWeight: 455.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=C(C=CC(=N3)C4=C(C=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=C(C=CC(=N3)C4=C(C=C(C=C4)Cl)Cl)C#N

InChI

InChI=1S/C22H16Cl2N4OS/c23-15-7-8-16(17(24)12-15)18-9-6-14(13-25)21(26-18)30-11-3-10-28-20-5-2-1-4-19(20)27-22(28)29/h1-2,4-9,12H,3,10-11H2,(H,27,29)