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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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