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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C17H13N3O4S/c25-17-19-18-16(11-2-4-13-15(6-11)24-9-22-13)20(17)7-10-1-3-12-14(5-10)23-8-21-12/h1-6H,7-9H2,(H,19,25)