4-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 2-phenyl-4-(p-tolylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methylphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 2-phenyl-4-(p-tolylthio)pyrimidine-5-carboxylic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O2S/c1-12-7-9-14(10-8-12)23-17-15(18(21)22)11-19-16(20-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)