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

Systemtic Name: 3,4-bis(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3,4-bis(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3,4-bis(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3,4-bis(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3,4-bis(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C16H11N3O4S/c24-16-18-17-15(9-1-3-11-13(5-9)22-7-20-11)19(16)10-2-4-12-14(6-10)23-8-21-12/h1-6H,7-8H2,(H,18,24)