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

Systemtic Name: 2-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-cyano-4-nitroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-cyano-4-nitroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2-cyano-4-nitro-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H10N5O4S- MolecularWeight: 344.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[O-]

InChI

InChI=1S/C14H11N5O4S/c1-8-4-12(20)18-14(16-8)24-7-13(21)17-11-3-2-10(19(22)23)5-9(11)6-15/h2-5H,7H2,1H3,(H,17,21)(H,16,18,20)/p-1