2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-methyl-pyrimidin-4-olate Formula: C20H13ClN3O2S- MolecularWeight: 394.85412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H14ClN3O2S/c1-11-9-16(25)24-20(22-11)27-18-17(12-5-3-2-4-6-12)14-10-13(21)7-8-15(14)23-19(18)26/h2-10H,1H3,(H,23,26)(H,22,24,25)/p-1