2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C18H13N4O4S- MolecularWeight: 381.38522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H14N4O4S/c23-16-10-15(12-5-2-1-3-6-12)20-18(21-16)27-11-17(24)19-13-7-4-8-14(9-13)22(25)26/h1-10H,11H2,(H,19,24)(H,20,21,23)/p-1