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

Systemtic Name: methyl 5-azanyl-1-(4-methylphenyl)sulfonyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-methylsulfanyl-1-(p-tolylsulfonyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-methylphenyl)sulfonyl-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-tosyl-pyrazole-4-carboxylic acid methyl ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)SC)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)SC)C(=O)OC)N

InChI

InChI=1S/C13H15N3O4S2/c1-8-4-6-9(7-5-8)22(18,19)16-11(14)10(13(17)20-2)12(15-16)21-3/h4-7H,14H2,1-3H3