N-[[4-(4-bromophenyl)-5-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C27H22BrClF3N5O4S MolecularWeight: 684.91189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)OC

InChI

InChI=1S/C27H22BrClF3N5O4S/c1-40-21-10-3-15(11-22(21)41-2)25(39)33-13-23-35-36-26(37(23)18-7-5-17(28)6-8-18)42-14-24(38)34-20-12-16(27(30,31)32)4-9-19(20)29/h3-12H,13-14H2,1-2H3,(H,33,39)(H,34,38)