4-(1,3-benzodioxol-5-yl)-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-1H-1,2,4-triazole-5-thione Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C10H9N3O2S/c1-6-11-12-10(16)13(6)7-2-3-8-9(4-7)15-5-14-8/h2-4H,5H2,1H3,(H,12,16)