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

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

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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=CS4)C5=CC=CS5)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=CS5)C#N)OC

InChI

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