6-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-1-methylsulfonyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-1-methylsulfonyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-1-methylsulfonyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5R)-5-(1,3-diphenyl-4-pyrazolyl)-1-methylsulfonyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-1-methylsulfonylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-1-mesyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(CC(=C2C=CC=CC2=O)N1)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1[C@H](CC(=C2C=CC=CC2=O)N1)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c1-33(31,32)29-23(16-22(26-29)20-14-8-9-15-24(20)30)21-17-28(19-12-6-3-7-13-19)27-25(21)18-10-4-2-5-11-18/h2-15,17,23,26H,16H2,1H3/t23-/m1/s1