methyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]amino]benzoic acid methyl 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)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-20(15(2)24(23-14)18-7-5-4-6-8-18)28-13-19(25)22-17-11-9-16(10-12-17)21(26)27-3/h4-12H,13H2,1-3H3,(H,22,25)