methyl 2-[2-[[5-[2-[(4-bromophenyl)carbonylamino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[5-[2-[(4-bromophenyl)carbonylamino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-[2-[(4-bromobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-[2-[[(4-bromophenyl)-oxomethyl]amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[2-[(4-bromobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-[2-[(4-bromobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22BrN5O4S MolecularWeight: 532.41018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN5O4S/c1-28-18(11-12-24-20(30)14-7-9-15(23)10-8-14)26-27-22(28)33-13-19(29)25-17-6-4-3-5-16(17)21(31)32-2/h3-10H,11-13H2,1-2H3,(H,24,30)(H,25,29)