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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(diphenylmethyl)sulfanylethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-benzhydrylsulfanylacetate CAS Name: 2-[(diphenylmethyl)thio]acetic 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-benzhydrylsulfanylacetate Traditional Name: 2-(benzhydrylthio)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-20-27(21(2)31(30-20)24-16-10-5-11-17-24)29-25(32)18-34-26(33)19-35-28(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,28H,18-19H2,1-2H3,(H,29,32)