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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N3O5S/c1-21-6-2-5-18-14(20)16-17-15(18)24-8-11(19)10-3-4-12-13(7-10)23-9-22-12/h3-4,7H,2,5-6,8-9H2,1H3,(H,16,20)