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

Systemtic Name: 2-[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H12Cl2N3O2S- MolecularWeight: 357.23498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Cl2N3O2S/c1-7-3-4-9(15)13(12(7)16)18-11(21)6-22-14-17-8(2)5-10(20)19-14/h3-5H,6H2,1-2H3,(H,18,21)(H,17,19,20)/p-1