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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isopropylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(isopropylthio)-1H-1,2,4-triazol-5-one Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=O)N1C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)SC1=NNC(=O)N1C2=CC3=C(C=C2)OCCO3

InChI

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