(2-oxidanylidene-2-phenylazanyl-ethyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-15-21(16(2)24(23-15)18-11-7-4-8-12-18)28-14-20(26)27-13-19(25)22-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,22,25)