4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[(4-nitrophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-[(4-nitrophenyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H13N3O4S/c1-11-15(18(22)23)17(20-16(19-11)12-5-3-2-4-6-12)26-14-9-7-13(8-10-14)21(24)25/h2-10H,1H3,(H,22,23)