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

Systemtic Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21BrN4O2S/c1-3-11-28-20-24-23-18(25(20)16-9-7-15(21)8-10-16)13-22-19(26)14-5-4-6-17(12-14)27-2/h4-10,12H,3,11,13H2,1-2H3,(H,22,26)