4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-6-(2-thienyl)nicotinonitrile Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C#N

InChI

InChI=1S/C27H22N2O4S2/c1-31-19-9-6-17(7-10-19)23(30)16-35-27-21(15-28)20(14-22(29-27)26-5-4-12-34-26)18-8-11-24(32-2)25(13-18)33-3/h4-14H,16H2,1-3H3