4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-2-[(2-keto-2-piperidino-ethyl)thio]nicotinonitrile Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)N4CCCCC4)OC

InChI

InChI=1S/C27H26ClN3O3S/c1-33-24-11-8-19(14-25(24)34-2)23-15-21(18-6-9-20(28)10-7-18)22(16-29)27(30-23)35-17-26(32)31-12-4-3-5-13-31/h6-11,14-15H,3-5,12-13,17H2,1-2H3