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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H33N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-23-24-22(28)25(21)18-14-15-19-20(16-18)27-17-26-19/h14-16H,2-13,17H2,1H3,(H,24,28)