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

Systemtic Name: 3-[(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)oxy]-1H-pyridazine-6-thione Openeye Name: 3-(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)oxy-1H-pyridazine-6-thione CAS Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-1H-pyridazine-6-thione IUPAC Name: 3-[(3-hydroxy-2,2,3-trimethyl-6-nitro-4H-chromen-4-yl)oxy]-1H-pyridazine-6-thione Traditional Name: 3-(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)oxy-1H-pyridazine-6-thione Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-15(2)16(3,20)14(23-12-6-7-13(25)18-17-12)10-8-9(19(21)22)4-5-11(10)24-15/h4-8,14,20H,1-3H3,(H,18,25)