3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O4S/c1-2-5-17-13(19)15-16-14(17)22-7-10(18)9-3-4-11-12(6-9)21-8-20-11/h3-4,6H,2,5,7-8H2,1H3,(H,15,19)