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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25BrN4O2S/c1-3-4-13-27-20(14-24-21(28)17-7-11-19(29-2)12-8-17)25-26-22(27)30-15-16-5-9-18(23)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,24,28)