4-(4-methoxyphenyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-(4-oxo-4-phenyl-butyl)sulfanyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[(4-oxo-4-phenylbutyl)thio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-(4-oxo-4-phenylbutyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-4-(4-methoxyphenyl)-6-(2-thienyl)nicotinonitrile Formula: C27H22N2O2S2 MolecularWeight: 470.60578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H22N2O2S2/c1-31-21-13-11-19(12-14-21)22-17-24(26-10-6-15-32-26)29-27(23(22)18-28)33-16-5-9-25(30)20-7-3-2-4-8-20/h2-4,6-8,10-15,17H,5,9,16H2,1H3