[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4S/c1-4-30(28)19-13-9-8-12-18(19)22(27)29-14-20(26)23-21-15(2)24-25(16(21)3)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,23,26)