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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-furyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-furanyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-furyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C14H11N3O3S MolecularWeight: 301.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC=CO4

InChI

InChI=1S/C14H11N3O3S/c21-14-16-15-13(11-2-1-5-18-11)17(14)7-9-3-4-10-12(6-9)20-8-19-10/h1-6H,7-8H2,(H,16,21)