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

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-(4-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4S/c1-3-21-13(18)10-11(14)16(15-12(10)22-2)8-4-6-9(7-5-8)17(19)20/h4-7H,3,14H2,1-2H3