4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-allylsulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-5-one CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(allylthio)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-5-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=O)N1C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCSC1=NNC(=O)N1C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H13N3O3S/c1-2-7-20-13-15-14-12(17)16(13)9-3-4-10-11(8-9)19-6-5-18-10/h2-4,8H,1,5-7H2,(H,14,17)