3-[2-[[5-[[(2-chlorophenyl)carbonylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[[5-[[(2-chlorophenyl)carbonylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[5-[[(2-chlorobenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[5-[[[(2-chlorophenyl)-oxomethyl]amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[[5-[[(2-chlorobenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-[[(2-chlorobenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN5O4S/c1-2-27-17(11-23-19(29)15-8-3-4-9-16(15)22)25-26-21(27)32-12-18(28)24-14-7-5-6-13(10-14)20(30)31/h3-10H,2,11-12H2,1H3,(H,23,29)(H,24,28)(H,30,31)