3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)oxy]-1H-pyridazine-6-thione

Systemtic Name: 3-[(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)oxy]-1H-pyridazine-6-thione Openeye Name: 3-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)oxy-1H-pyridazine-6-thione CAS Name: 3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-1H-pyridazine-6-thione IUPAC Name: 3-[(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)oxy]-1H-pyridazine-6-thione Traditional Name: 3-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)oxy-1H-pyridazine-6-thione Formula: C15H15N3O5S MolecularWeight: 349.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=NNC(=S)C=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=NNC(=S)C=C3)O)C

InChI

InChI=1S/C15H15N3O5S/c1-15(2)14(19)13(22-11-5-6-12(24)17-16-11)9-7-8(18(20)21)3-4-10(9)23-15/h3-7,13-14,19H,1-2H3,(H,17,24)