1,2-bis(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-imine

Systemtic Name: 1,2-bis(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-imine Openeye Name: 1,2-bis(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-imine CAS Name: 1,2-bis(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-imine IUPAC Name: 1,2-bis(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-imine Traditional Name: (1,2-dipiperonyl-1,2,4-triazol-3-ylidene)amine Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=N)N3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=N)N3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H16N4O4/c19-18-20-9-21(7-12-1-3-14-16(5-12)25-10-23-14)22(18)8-13-2-4-15-17(6-13)26-11-24-15/h1-6,9,19H,7-8,10-11H2