5-azanyl-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one Openeye Name: 5-amino-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one CAS Name: 5-amino-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one IUPAC Name: 5-amino-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one Traditional Name: 5-amino-2-(4-mesylphenyl)-4-methyl-2-pyrazolin-3-one Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)C)N

Isomeric SMILES

CC1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)C)N

InChI

InChI=1S/C11H13N3O3S/c1-7-10(12)13-14(11(7)15)8-3-5-9(6-4-8)18(2,16)17/h3-7H,1-2H3,(H2,12,13)