1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H19BrN4OS MolecularWeight: 395.31726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H19BrN4OS/c17-13-8-4-3-7-12(13)15-18-16(20-19-15)23-11-14(22)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19,20)