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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-propyl-1H-1,2,4-triazole-5-thione Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H13N3O2S/c1-2-3-11-13-14-12(18)15(11)8-4-5-9-10(6-8)17-7-16-9/h4-6H,2-3,7H2,1H3,(H,14,18)