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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-chlorophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-chlorophenyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C17H11ClN2O2S MolecularWeight: 342.79944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H11ClN2O2S/c18-12-6-8-13(9-7-12)23-16-14(17(21)22)10-19-15(20-16)11-4-2-1-3-5-11/h1-10H,(H,21,22)