2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C)Cl

InChI

InChI=1S/C14H14ClN3O2S/c1-8-3-4-10(6-11(8)15)17-13(20)7-21-14-16-9(2)5-12(19)18-14/h3-6H,7H2,1-2H3,(H,17,20)(H,16,18,19)/p-1