2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone Openeye Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-2-yl]sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-6-methyl-2-pyrimidinyl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-methylpyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-6-methyl-pyrimidin-2-yl]thio]-1-(p-tolyl)ethanone Formula: C25H25N3O2S2 MolecularWeight: 463.6149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C

InChI

InChI=1S/C25H25N3O2S2/c1-17-9-11-20(12-10-17)22(29)15-32-25-26-18(2)14-23(27-25)31-16-24(30)28-13-5-7-19-6-3-4-8-21(19)28/h3-4,6,8-12,14H,5,7,13,15-16H2,1-2H3