2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4)C

InChI

InChI=1S/C22H29N3OS/c1-16-17(2)25(20-10-4-3-5-11-20)22(23-16)27-15-21(26)24-13-12-18-8-6-7-9-19(18)14-24/h6-9,20H,3-5,10-15H2,1-2H3