5-methyl-4-[(2E)-2-(3-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-(4-propylsulfonylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-(4-propylsulfonylphenyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-(4-propylsulfonylphenyl)-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-2-(4-propylsulfonylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-(4-propylsulfonylphenyl)-1H-pyrazol-3-one Traditional Name: 4-[(N'E)-N'-(6-keto-3-mesyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-(4-propylsulfonylphenyl)-3-pyrazolin-3-one Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C)NN=C3C=C(C=CC3=O)S(=O)(=O)C

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C)N/N=C/3\C=C(C=CC3=O)S(=O)(=O)C

InChI

InChI=1S/C20H22N4O6S2/c1-4-11-32(29,30)15-7-5-14(6-8-15)24-20(26)19(13(2)23-24)22-21-17-12-16(31(3,27)28)9-10-18(17)25/h5-10,12,22-23H,4,11H2,1-3H3/b21-17+