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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN1C(=NNC1=S)CC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C13H15N3O2S/c1-16-12(14-15-13(16)19)8-9-3-4-10-11(7-9)18-6-2-5-17-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,19)