2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C27H19ClN2O2S MolecularWeight: 470.96996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H19ClN2O2S/c1-32-22-13-9-18(10-14-22)23-15-25(19-5-3-2-4-6-19)30-27(24(23)16-29)33-17-26(31)20-7-11-21(28)12-8-20/h2-15H,17H2,1H3