2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]ethanone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-15-5-2-3-7-18(15)24-12-10-22-21(24)29-14-20(26)23-11-4-6-16-13-17(25(27)28)8-9-19(16)23/h2-3,5,7-10,12-13H,4,6,11,14H2,1H3