2-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate Openeye Name: 2-[2-(2,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate CAS Name: 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]thio]-6-(methoxymethyl)-4-pyrimidinolate IUPAC Name: 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate Traditional Name: 2-[[2-(2,4-dichloroanilino)-2-keto-ethyl]thio]-6-(methoxymethyl)pyrimidin-4-olate Formula: C14H12Cl2N3O3S- MolecularWeight: 373.23438

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)[O-]

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)[O-]

InChI

InChI=1S/C14H13Cl2N3O3S/c1-22-6-9-5-12(20)19-14(17-9)23-7-13(21)18-11-3-2-8(15)4-10(11)16/h2-5H,6-7H2,1H3,(H,18,21)(H,17,19,20)/p-1