1-methyl-5-[(2-phenylsulfanylphenyl)carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[(2-phenylsulfanylphenyl)carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[(2-phenylsulfanylphenyl)carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[2-(phenylthio)anilino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[(2-phenylsulfanylphenyl)carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[2-(phenylthio)phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-21-16(13(11-19-21)18(23)24)17(22)20-14-9-5-6-10-15(14)25-12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22)(H,23,24)