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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1H-1,2,4-triazole-5-thione Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN1C(=NNC1=S)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C12H13N3O2S/c1-15-11(13-14-12(15)18)8-3-4-9-10(7-8)17-6-2-5-16-9/h3-4,7H,2,5-6H2,1H3,(H,14,18)