2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)sulfonyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)sulfonyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolylsulfonyl)-1H-pyrimidin-6-one CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-5-(4-methylphenyl)sulfonyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)sulfonyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-5-tosyl-1H-pyrimidin-6-one Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O4S2/c1-15-8-10-17(11-9-15)31(28,29)19-13-23-22(24-21(19)27)30-14-20(26)25-12-4-6-16-5-2-3-7-18(16)25/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H,23,24,27)