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

Systemtic Name: 2-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-cyano-4-nitroanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-cyano-4-nitroanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-cyano-4-nitro-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H14N5O4S- MolecularWeight: 372.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-2-3-11-7-14(22)20-16(18-11)26-9-15(23)19-13-5-4-12(21(24)25)6-10(13)8-17/h4-7H,2-3,9H2,1H3,(H,19,23)(H,18,20,22)/p-1