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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-methyl-quinoline-3-carbonitrile Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H19N3OS/c1-15-6-7-20-18(10-15)11-19(12-23)22(24-20)27-14-21(26)25-9-8-16-4-2-3-5-17(16)13-25/h2-7,10-11H,8-9,13-14H2,1H3