5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydro-1,2,4-triazole-3-thione Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NC(=S)NN3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NC(=S)NN3)OC1

InChI

InChI=1S/C11H11N3O2S/c17-11-12-10(13-14-11)7-2-3-8-9(6-7)16-5-1-4-15-8/h2-3,6H,1,4-5H2,(H2,12,13,14,17)