2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C4CCCCC4)C

InChI

InChI=1S/C22H28N4O3S/c1-15-16(2)25(18-8-4-3-5-9-18)22(23-15)30-14-21(27)24-12-6-7-17-13-19(26(28)29)10-11-20(17)24/h10-11,13,18H,3-9,12,14H2,1-2H3