N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C18H22N4O4S/c1-3-4-5-6-22-10-19-21-18(22)27-9-17(24)20-14-8-16-15(25-11-26-16)7-13(14)12(2)23/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,24)