2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methylthio]-4-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidine-5-carboxylic acid Traditional Name: 2-[(4-chlorobenzyl)thio]-4-methyl-pyrimidine-5-carboxylic acid Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NC(=NC=C1C(=O)O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O2S/c1-8-11(12(17)18)6-15-13(16-8)19-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,17,18)