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

Systemtic Name: 4-chloranyl-3-[2-[[5-[[(3,4-dichlorophenyl)carbonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[4-allyl-5-[[(3,4-dichlorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[2-[[5-[[[(3,4-dichlorophenyl)-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-[[(3,4-dichlorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-allyl-5-[[(3,4-dichlorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid Formula: C22H18Cl3N5O4S MolecularWeight: 554.83342

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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)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)Cl

InChI

InChI=1S/C22H18Cl3N5O4S/c1-2-7-30-18(10-26-20(32)12-3-5-14(23)16(25)8-12)28-29-22(30)35-11-19(31)27-17-9-13(21(33)34)4-6-15(17)24/h2-6,8-9H,1,7,10-11H2,(H,26,32)(H,27,31)(H,33,34)