(6E)-6-[5-(2-methylphenyl)-1-methylsulfonyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[5-(2-methylphenyl)-1-methylsulfonyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[1-methylsulfonyl-5-(o-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[5-(2-methylphenyl)-1-methylsulfonyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[5-(2-methylphenyl)-1-methylsulfonylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[1-mesyl-5-(o-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=C3C=CC=CC3=O)NN2S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2C/C(=C\3/C=CC=CC3=O)/NN2S(=O)(=O)C

InChI

InChI=1S/C17H18N2O3S/c1-12-7-3-4-8-13(12)16-11-15(18-19(16)23(2,21)22)14-9-5-6-10-17(14)20/h3-10,16,18H,11H2,1-2H3/b15-14+