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

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-4-thiophen-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)-4-(3-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-thiophen-2-yl-4-(3-thiophenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-thiophen-2-yl-4-thiophen-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-(2-thienyl)-4-(3-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=CSC=C5)C#N)OC

Isomeric SMILES

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

InChI

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