6-(1,3-benzodioxol-5-yl)-1,2,4,5-tetrazinane-3-thione

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1,2,4,5-tetrazinane-3-thione Openeye Name: 6-(1,3-benzodioxol-5-yl)-1,2,4,5-tetrazinane-3-thione CAS Name: 6-(1,3-benzodioxol-5-yl)-1,2,4,5-tetrazinane-3-thione IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1,2,4,5-tetrazinane-3-thione Traditional Name: 6-(1,3-benzodioxol-5-yl)-1,2,4,5-tetrazinane-3-thione Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3NNC(=S)NN3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3NNC(=S)NN3

InChI

InChI=1S/C9H10N4O2S/c16-9-12-10-8(11-13-9)5-1-2-6-7(3-5)15-4-14-6/h1-3,8,10-11H,4H2,(H2,12,13,16)