2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylquinoline-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylquinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanylquinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]quinoline-3-carbonitrile Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C=C3C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C=C3C#N

InChI

InChI=1S/C21H17N3OS/c22-12-18-11-16-6-3-4-8-19(16)23-21(18)26-14-20(25)24-10-9-15-5-1-2-7-17(15)13-24/h1-8,11H,9-10,13-14H2