2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-4-(3,4-dimethoxyphenyl)-6-phenyl-nicotinonitrile Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H27N3O3S/c1-36-28-15-14-23(17-29(28)37-2)24-18-26(21-9-4-3-5-10-21)33-31(25(24)19-32)38-20-30(35)34-16-8-12-22-11-6-7-13-27(22)34/h3-7,9-11,13-15,17-18H,8,12,16,20H2,1-2H3