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

Systemtic Name: ethyl 4-chloranyl-3-[2-[[5-[[(3,4-dichlorophenyl)carbonylamino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[4-allyl-5-[[(3,4-dichlorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate 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 ethyl ester IUPAC Name: ethyl 4-chloro-3-[[2-[[5-[[(3,4-dichlorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate 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 ethyl ester Formula: C24H22Cl3N5O4S MolecularWeight: 582.88658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H22Cl3N5O4S/c1-3-9-32-20(12-28-22(34)14-5-7-16(25)18(27)10-14)30-31-24(32)37-13-21(33)29-19-11-15(6-8-17(19)26)23(35)36-4-2/h3,5-8,10-11H,1,4,9,12-13H2,2H3,(H,28,34)(H,29,33)