ethyl 5-methyl-1-[3-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[(4-methylsulfanyl-3-nitro-benzoyl)amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[(4-methylsulfanyl-3-nitrobenzoyl)amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-[[4-(methylthio)-3-nitro-benzoyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

InChI

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