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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=CC(=C(C3=S)C#N)C4=CC=C(C=C4)F)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=CC(=C(C3=S)C#N)C4=CC=C(C=C4)F)C5=CC=CC=C5)OC

InChI

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