1-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

Systemtic Name: 1-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O2S/c1-14-8-10-16(11-9-14)27-20-18(24(25)26)19(21-13-22-20)23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11,13H,4,6,12H2,1H3