2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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