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

Systemtic Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-sulfanylidene-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4,6-bis(2-thienyl)-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-sulfanylidene-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-sulfanylidene-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4,6-bis(2-thienyl)-2-thioxo-nicotinonitrile Formula: C27H23N3O3S3 MolecularWeight: 533.68482

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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=CS4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=CC(=C(C3=S)C#N)C4=CC=CS4)C5=CC=CS5)OC

InChI

InChI=1S/C27H23N3O3S3/c1-32-22-11-17-7-8-29(15-18(17)12-23(22)33-2)26(31)16-30-21(25-6-4-10-36-25)13-19(20(14-28)27(30)34)24-5-3-9-35-24/h3-6,9-13H,7-8,15-16H2,1-2H3