2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5-keto-7,8-dihydro-6H-quinoline-3-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C#N)C(=O)C1

InChI

InChI=1S/C21H19N3O2S/c22-11-16-10-17-18(6-3-7-19(17)25)23-21(16)27-13-20(26)24-9-8-14-4-1-2-5-15(14)12-24/h1-2,4-5,10H,3,6-9,12-13H2