5-azanyl-2-[(4-methyl-3-methylsulfonyl-phenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-methyl-3-methylsulfonyl-phenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-methyl-3-methylsulfonyl-phenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-methyl-3-methylsulfonylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-methyl-3-methylsulfonylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-mesyl-4-methyl-benzyl)-3-pyrazolin-3-one Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=O)C=C(N2)N)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=O)C=C(N2)N)S(=O)(=O)C

InChI

InChI=1S/C12H15N3O3S/c1-8-3-4-9(5-10(8)19(2,17)18)7-15-12(16)6-11(13)14-15/h3-6,14H,7,13H2,1-2H3