2-[3-(3,4-dichlorophenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(3,4-dichlorophenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3,4-dichlorophenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3,4-dichlorophenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3,4-dichlorophenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3,4-dichlorophenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C13H10Cl2N2O3S MolecularWeight: 345.2011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC(=C(C=C2)Cl)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC(=C(C=C2)Cl)Cl)CC(=O)O

InChI

InChI=1S/C13H10Cl2N2O3S/c1-6-8(5-11(18)19)12(20)17(13(21)16-6)7-2-3-9(14)10(15)4-7/h2-4H,5H2,1H3,(H,16,21)(H,18,19)