2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-4-olate Openeye Name: 2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-5-phenyl-1H-pyrimidin-4-olate CAS Name: 2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-6-oxo-5-phenyl-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(2-nitroanilino)-2-oxoethyl]sulfanyl-6-oxo-5-phenyl-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]-5-phenyl-1H-pyrimidin-4-olate Formula: C18H13N4O5S- MolecularWeight: 397.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H14N4O5S/c23-14(19-12-8-4-5-9-13(12)22(26)27)10-28-18-20-16(24)15(17(25)21-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,23)(H2,20,21,24,25)/p-1