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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(4-cyclohexyl-5-piperonyl-1,2,4-triazol-3-yl)thio]-N-isopropyl-acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O3S/c1-14(2)22-20(26)12-29-21-24-23-19(25(21)16-6-4-3-5-7-16)11-15-8-9-17-18(10-15)28-13-27-17/h8-10,14,16H,3-7,11-13H2,1-2H3,(H,22,26)