2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H15N4O4S- MolecularWeight: 395.4118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O4S/c1-12-7-8-14(23(26)27)9-15(12)20-18(25)11-28-19-21-16(10-17(24)22-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,25)(H,21,22,24)/p-1