4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(2-keto-2-morpholino-ethyl)thio]-6-(p-tolyl)nicotinonitrile Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)N4CCOCC4

InChI

InChI=1S/C27H27N3O4S/c1-18-4-6-19(7-5-18)23-15-21(20-8-9-24(32-2)25(14-20)33-3)22(16-28)27(29-23)35-17-26(31)30-10-12-34-13-11-30/h4-9,14-15H,10-13,17H2,1-3H3