2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H13ClN3O4S- MolecularWeight: 354.78872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)[O-])Cl)OC

InChI

InChI=1S/C14H14ClN3O4S/c1-21-10-6-11(22-2)9(5-8(10)15)17-13(20)7-23-14-16-4-3-12(19)18-14/h3-6H,7H2,1-2H3,(H,17,20)(H,16,18,19)/p-1