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

Systemtic Name: 4-ethyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-ethyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-ethyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-ethyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CC2=CC3=C(C=C2C)OCCCO3

Isomeric SMILES

CCN1C(=NNC1=S)CC2=CC3=C(C=C2C)OCCCO3

InChI

InChI=1S/C15H19N3O2S/c1-3-18-14(16-17-15(18)21)9-11-8-13-12(7-10(11)2)19-5-4-6-20-13/h7-8H,3-6,9H2,1-2H3,(H,17,21)