5-methyl-4-(6-sulfonylcyclohexa-1,3-dien-1-yl)pyrazol-3-one

Systemtic Name: 5-methyl-4-(6-sulfonylcyclohexa-1,3-dien-1-yl)pyrazol-3-one Openeye Name: 5-methyl-4-(6-sulfonylcyclohexa-1,3-dien-1-yl)pyrazol-3-one CAS Name: 5-methyl-4-(6-sulfonyl-1-cyclohexa-1,3-dienyl)-3-pyrazolone IUPAC Name: 5-methyl-4-(6-sulfonylcyclohexa-1,3-dien-1-yl)pyrazol-3-one Traditional Name: 5-methyl-4-(6-sulfonylcyclohexa-1,3-dien-1-yl)pyrazol-3-one Formula: C10H8N2O3S MolecularWeight: 236.24712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)C2=CC=CCC2=S(=O)=O

Isomeric SMILES

CC1=C(C(=O)N=N1)C2=CC=CCC2=S(=O)=O

InChI

InChI=1S/C10H8N2O3S/c1-6-9(10(13)12-11-6)7-4-2-3-5-8(7)16(14)15/h2-4H,5H2,1H3