2-(3,4-dimethylphenyl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O3S/c1-13-5-7-17(10-14(13)2)25-12-19(22)20-9-3-4-15-11-16(21(23)24)6-8-18(15)20/h5-8,10-11H,3-4,9,12H2,1-2H3