4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NNC(=S)N1CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H15N3O2S/c1-9-14-15-13(19)16(9)5-4-10-2-3-11-12(8-10)18-7-6-17-11/h2-3,8H,4-7H2,1H3,(H,15,19)