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

Systemtic Name: 5-azanyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one Openeye Name: 5-amino-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one CAS Name: 5-amino-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one IUPAC Name: 5-amino-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one Traditional Name: 5-amino-2-(4-mesylphenyl)-2-pyrazolin-3-one Formula: C10H11N3O3S MolecularWeight: 253.27764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

InChI

InChI=1S/C10H11N3O3S/c1-17(15,16)8-4-2-7(3-5-8)13-10(14)6-9(11)12-13/h2-5H,6H2,1H3,(H2,11,12)