4-(3-methylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-methylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(m-tolylsulfanyl)-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-methylphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-methylphenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(m-tolylthio)-2-phenyl-pyrimidine-5-carboxylic acid Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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