methyl 4-methyl-3-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(4-pyrazol-1-ylbenzyl)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=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3

InChI

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