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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC3=C(C=C2)OCCCO3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC3=C(C=C2)OCCCO3)[S-]

InChI

InChI=1S/C14H17N3O2S/c1-2-4-13-15-16-14(20)17(13)10-5-6-11-12(9-10)19-8-3-7-18-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,20)/p-1