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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CC3=NC(=S)NN3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)CC3=NC(=S)NN3)OC1

InChI

InChI=1S/C12H13N3O2S/c18-12-13-11(14-15-12)7-8-2-3-9-10(6-8)17-5-1-4-16-9/h2-3,6H,1,4-5,7H2,(H2,13,14,15,18)