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

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-6-nitro-4-phenyl-carbostyril Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H14N4O4S/c1-11-9-16(25)23-20(21-11)29-18-17(12-5-3-2-4-6-12)14-10-13(24(27)28)7-8-15(14)22-19(18)26/h2-10H,1H3,(H,22,26)(H,21,23,25)