ethyl 5-azanyl-3-methylsulfanyl-1-(4-nitrophenyl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-(4-nitrophenyl)carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-(4-nitrobenzoyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-[(4-nitrophenyl)-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-(4-nitrobenzoyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-(4-nitrobenzoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H14N4O5S/c1-3-23-14(20)10-11(15)17(16-12(10)24-2)13(19)8-4-6-9(7-5-8)18(21)22/h4-7H,3,15H2,1-2H3