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

Systemtic Name: 3-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one CAS Name: 3-[[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]thio]-4-phenyl-carbostyril Formula: C27H21N3O2S2 MolecularWeight: 483.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SC3=C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SC3=C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S2/c1-17-11-13-20(14-12-17)33-16-19-15-23(31)30-27(28-19)34-25-24(18-7-3-2-4-8-18)21-9-5-6-10-22(21)29-26(25)32/h2-15H,16H2,1H3,(H,29,32)(H,28,30,31)