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

Systemtic Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H20N4OS MolecularWeight: 280.3891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C13H20N4OS/c18-11(17-7-3-1-2-4-8-17)9-19-13-14-12(15-16-13)10-5-6-10/h10H,1-9H2,(H,14,15,16)