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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C21H21N3OS/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/h1-2,5,7,11H,3-4,6,8-10,13-14H2