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

Systemtic Name: 4-[(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)oxy]-1H-pyridine-2-thione Openeye Name: 4-(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)oxy-1H-pyridine-2-thione CAS Name: 4-[(3-hydroxy-2,2,3-trimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-1H-pyridine-2-thione IUPAC Name: 4-[(3-hydroxy-2,2,3-trimethyl-6-nitro-4H-chromen-4-yl)oxy]-1H-pyridine-2-thione Traditional Name: 4-(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)oxy-1H-pyridine-2-thione Formula: C17H18N2O5S MolecularWeight: 362.40022

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=CC(=S)NC=C3)(C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-16(2)17(3,20)15(23-11-6-7-18-14(25)9-11)12-8-10(19(21)22)4-5-13(12)24-16/h4-9,15,20H,1-3H3,(H,18,25)