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

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(3-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=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN5OS/c17-13-7-5-6-12(10-13)15-19-20-16(22(15)18)24-11-14(23)21-8-3-1-2-4-9-21/h5-7,10H,1-4,8-9,11,18H2