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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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