ethyl 2-methyl-5-[[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]carbamoyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[[3-nitro-5-(p-tolylsulfanyl)phenyl]carbamoyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[[3-[(4-methylphenyl)thio]-5-nitroanilino]-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]carbamoyl]pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[[3-nitro-5-(p-tolylthio)phenyl]carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-4-30-21(27)19-12-18(23-24(19)3)20(26)22-14-9-15(25(28)29)11-17(10-14)31-16-7-5-13(2)6-8-16/h5-12H,4H2,1-3H3,(H,22,26)