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

Systemtic Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H22N4OS MolecularWeight: 294.41568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C14H22N4OS/c19-12(18-8-4-2-1-3-5-9-18)10-20-14-15-13(16-17-14)11-6-7-11/h11H,1-10H2,(H,15,16,17)