N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C25H23BrN4O3S/c1-32-21-12-18(13-22(14-21)33-2)24(31)27-15-23-28-29-25(30(23)20-6-4-3-5-7-20)34-16-17-8-10-19(26)11-9-17/h3-14H,15-16H2,1-2H3,(H,27,31)