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

Systemtic Name: 1-(azocan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H30N4OS MolecularWeight: 350.522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C18H30N4OS/c23-17(22-12-6-2-1-3-7-13-22)14-24-18-19-16(20-21-18)11-10-15-8-4-5-9-15/h15H,1-14H2,(H,19,20,21)