ethyl 5-azanyl-3-methylsulfonyl-1-(phenylazanylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfonyl-1-(phenylazanylcarbamoyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(anilinocarbamoyl)-3-methylsulfonyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-methylsulfonyl-1-[oxo-(phenylhydrazo)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(anilinocarbamoyl)-3-methylsulfonylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(anilinocarbamoyl)-3-mesyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C(=O)NNC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C(=O)NNC2=CC=CC=C2)N

InChI

InChI=1S/C14H17N5O5S/c1-3-24-13(20)10-11(15)19(18-12(10)25(2,22)23)14(21)17-16-9-7-5-4-6-8-9/h4-8,16H,3,15H2,1-2H3,(H,17,21)