1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3OS/c1-16-5-4-8-19(13-16)24-12-10-22-21(24)26-15-20(25)23-11-9-17-6-2-3-7-18(17)14-23/h2-8,10,12-13H,9,11,14-15H2,1H3