4-methyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-methyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-methyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-methyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CC3=NNC(=S)N3C)OCCCO2

Isomeric SMILES

CC1=CC2=C(C=C1CC3=NNC(=S)N3C)OCCCO2

InChI

InChI=1S/C14H17N3O2S/c1-9-6-11-12(19-5-3-4-18-11)7-10(9)8-13-15-16-14(20)17(13)2/h6-7H,3-5,8H2,1-2H3,(H,16,20)