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

Systemtic Name: methyl 4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-pyrazol-1-ylbenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-26-20(25)16-5-7-17(8-6-16)22-19(24)14-27-13-15-3-9-18(10-4-15)23-12-2-11-21-23/h2-12H,13-14H2,1H3,(H,22,24)