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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-triazole-3-thiolate Formula: C11H10N3O2S- MolecularWeight: 248.281

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N3C=NN=C3[S-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N3C=NN=C3[S-])OC1

InChI

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