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

Systemtic Name: 4-chloranyl-3-[2-[[5-[[(4-chlorophenyl)carbonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[4-allyl-5-[[(4-chlorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[2-[[5-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-allyl-5-[[(4-chlorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid Formula: C22H19Cl2N5O4S MolecularWeight: 520.38836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2N5O4S/c1-2-9-29-18(11-25-20(31)13-3-6-15(23)7-4-13)27-28-22(29)34-12-19(30)26-17-10-14(21(32)33)5-8-16(17)24/h2-8,10H,1,9,11-12H2,(H,25,31)(H,26,30)(H,32,33)