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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]propan-1-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3OS/c1-16-6-5-9-20(14-16)25-13-11-23-22(25)27-17(2)21(26)24-12-10-18-7-3-4-8-19(18)15-24/h3-9,11,13-14,17H,10,12,15H2,1-2H3