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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O3S/c1-2-3-4-7-20-10-17-19-16(20)24-9-15(21)18-12-5-6-13-14(8-12)23-11-22-13/h5-6,8,10H,2-4,7,9,11H2,1H3,(H,18,21)