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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=NNC(=S)N1C2=CC3=C(C=C2)OCCCO3

InChI

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