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

Systemtic Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S/c1-3-4-12-29-21-25-24-19(26(21)17-10-8-16(22)9-11-17)14-23-20(27)15-6-5-7-18(13-15)28-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)