4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H17N3O3S/c1-12-4-2-3-5-14(12)24-11-17-19-20-18(25)21(17)13-6-7-15-16(10-13)23-9-8-22-15/h2-7,10H,8-9,11H2,1H3,(H,20,25)