2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-[(4-methyl-5-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N4O3S/c1-17(2,3)18-15(22)9-25-16-20-19-14(21(16)4)8-11-5-6-12-13(7-11)24-10-23-12/h5-7H,8-10H2,1-4H3,(H,18,22)