methyl 5-azanyl-3-methylsulfanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-3-methylsulfanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-benzoyl-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-benzoyl-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-benzoyl-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C13H13N3O3S/c1-19-13(18)9-10(14)16(15-11(9)20-2)12(17)8-6-4-3-5-7-8/h3-7H,14H2,1-2H3