1-(azocan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(azocan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(azocan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(1-azocanyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(azocan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(azocan-1-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C11H18N4OS MolecularWeight: 254.35182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NC=NN2

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C11H18N4OS/c16-10(8-17-11-12-9-13-14-11)15-6-4-2-1-3-5-7-15/h9H,1-8H2,(H,12,13,14)