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

Systemtic Name: 2-ethoxyethyl 5-azanyl-3-methylsulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: 2-ethoxyethyl 5-amino-3-methylsulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 5-amino-3-methylsulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-(4-nitrophenyl)pyrazole-4-carboxylic acid 2-ethoxyethyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-3-23-8-9-24-15(20)12-13(16)18(17-14(12)25-2)10-4-6-11(7-5-10)19(21)22/h4-7H,3,8-9,16H2,1-2H3