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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3O2S/c1-26-19-8-6-18(7-9-19)24-13-11-22-21(24)27-15-20(25)23-12-10-16-4-2-3-5-17(16)14-23/h2-9,11,13H,10,12,14-15H2,1H3