6-chloranyl-3-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]thio]-4-phenyl-carbostyril Formula: C27H20ClN3O2S2 MolecularWeight: 518.0496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SC3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN3O2S2/c1-16-7-10-20(11-8-16)34-15-19-14-23(32)31-27(29-19)35-25-24(17-5-3-2-4-6-17)21-13-18(28)9-12-22(21)30-26(25)33/h2-14H,15H2,1H3,(H,30,33)(H,29,31,32)