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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(azepan-1-yl)ethanone Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C16H20BrN5OS/c17-13-8-4-3-7-12(13)15-19-20-16(22(15)18)24-11-14(23)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11,18H2