2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-(4-fluorophenyl)-6-phenyl-nicotinonitrile Formula: C31H26FN3O3S MolecularWeight: 539.619843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)F)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)F)C#N)OC

InChI

InChI=1S/C31H26FN3O3S/c1-37-28-14-22-12-13-35(18-23(22)15-29(28)38-2)30(36)19-39-31-26(17-33)25(20-8-10-24(32)11-9-20)16-27(34-31)21-6-4-3-5-7-21/h3-11,14-16H,12-13,18-19H2,1-2H3