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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: N,N-diethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-4-21(5-2)16(22)10-25-17-19-18-15(20(17)3)9-12-6-7-13-14(8-12)24-11-23-13/h6-8H,4-5,9-11H2,1-3H3