1-methyl-5-[[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[3-nitro-5-(p-tolylsulfanyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[3-[(4-methylphenyl)thio]-5-nitroanilino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[3-nitro-5-(p-tolylthio)phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C19H16N4O5S/c1-11-3-5-14(6-4-11)29-15-8-12(7-13(9-15)23(27)28)21-18(24)17-16(19(25)26)10-20-22(17)2/h3-10H,1-2H3,(H,21,24)(H,25,26)