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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N3O4S/c1-2-3-6-18-14(20)16-17-15(18)23-8-11(19)10-4-5-12-13(7-10)22-9-21-12/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,20)