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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O3S/c1-23-13-7-9-14(10-8-13)24-17-15(18(21)22)11-19-16(20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)