[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H23N3O4S/c1-18-13-15-22(16-14-18)33(30,31)32-23-12-8-7-9-20(23)17-26-24-19(2)27(3)28(25(24)29)21-10-5-4-6-11-21/h4-17H,1-3H3