2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: N-cyclohexyl-2-[(4-ethyl-5-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O3S/c1-2-24-18(11-14-8-9-16-17(10-14)27-13-26-16)22-23-20(24)28-12-19(25)21-15-6-4-3-5-7-15/h8-10,15H,2-7,11-13H2,1H3,(H,21,25)