2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H14ClN4O2S- MolecularWeight: 361.82596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S/c1-2-3-12-7-14(22)21-16(19-12)24-9-15(23)20-13-6-11(17)5-4-10(13)8-18/h4-7H,2-3,9H2,1H3,(H,20,23)(H,19,21,22)/p-1