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

Systemtic Name: methyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-14-10-11-17(22(27)28-4)12-19(14)23-20(26)13-29-21-15(2)24-25(16(21)3)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,23,26)