4-(5-chloranyl-2-methyl-phenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-(5-chloro-2-methyl-phenyl)-2-thioxo-5,6-dihydro-1H-pyrimidine-6-carboxylic acid CAS Name: 4-(5-chloro-2-methylphenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-(5-chloro-2-methylphenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-(5-chloro-2-methyl-phenyl)-2-thioxo-5,6-dihydro-1H-pyrimidine-6-carboxylic acid Formula: C12H11ClN2O2S MolecularWeight: 282.74594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C2=NC(=S)NC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C2=NC(=S)NC(C2)C(=O)O

InChI

InChI=1S/C12H11ClN2O2S/c1-6-2-3-7(13)4-8(6)9-5-10(11(16)17)15-12(18)14-9/h2-4,10H,5H2,1H3,(H,15,18)(H,16,17)