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

Systemtic Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-2-3-13-27-20-24-23-18(25(20)17-11-9-16(21)10-12-17)14-22-19(26)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,22,26)