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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-ethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-ethyl-quinoline-3-carbonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H21N3OS/c1-2-16-7-8-21-19(11-16)12-20(13-24)23(25-21)28-15-22(27)26-10-9-17-5-3-4-6-18(17)14-26/h3-8,11-12H,2,9-10,14-15H2,1H3