3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(piperonylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O3S/c1-2-5-16-12(17)14-15-13(16)20-7-9-3-4-10-11(6-9)19-8-18-10/h3-4,6H,2,5,7-8H2,1H3,(H,14,17)