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

Systemtic Name: 2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20ClN3OS/c1-15-18(22)7-4-8-19(15)25-12-10-23-21(25)27-14-20(26)24-11-9-16-5-2-3-6-17(16)13-24/h2-8,10,12H,9,11,13-14H2,1H3