N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NN3

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NN3

InChI

InChI=1S/C13H14N4O3S/c1-2-11(21-13-14-6-15-17-13)12(18)16-8-3-4-9-10(5-8)20-7-19-9/h3-6,11H,2,7H2,1H3,(H,16,18)(H,14,15,17)