3-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[5-ethyl-2,4-bis(oxidanyl)phenyl]-1H-imidazole-2-thione

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[5-ethyl-2,4-bis(oxidanyl)phenyl]-1H-imidazole-2-thione Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-ethyl-2,4-dihydroxy-phenyl)-1H-imidazole-2-thione CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)-1H-imidazole-2-thione IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)-1H-imidazole-2-thione Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(5-ethyl-2,4-dihydroxy-phenyl)-4-imidazoline-2-thione Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CNC(=S)N2C3=C4C(=CC=C3)OCCO4)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CNC(=S)N2C3=C4C(=CC=C3)OCCO4)O)O

InChI

InChI=1S/C19H18N2O4S/c1-2-11-8-12(16(23)9-15(11)22)14-10-20-19(26)21(14)13-4-3-5-17-18(13)25-7-6-24-17/h3-5,8-10,22-23H,2,6-7H2,1H3,(H,20,26)