7-[3-fluoranyl-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione

Systemtic Name: 7-[3-fluoranyl-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione Openeye Name: 7-[3-fluoro-5-(4-methoxytetrahydropyran-2-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione CAS Name: 7-[[3-fluoro-5-(4-methoxy-2-oxanyl)phenyl]thio]-4-methyl-1,4-benzoxazine-3-thione IUPAC Name: 7-[3-fluoro-5-(4-methoxyoxan-2-yl)phenyl]sulfanyl-4-methyl-1,4-benzoxazine-3-thione Traditional Name: 7-[[3-fluoro-5-(4-methoxytetrahydropyran-2-yl)phenyl]thio]-4-methyl-1,4-benzoxazine-3-thione Formula: C21H22FNO3S2 MolecularWeight: 419.532683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)COC2=C1C=CC(=C2)SC3=CC(=CC(=C3)F)C4CC(CCO4)OC

Isomeric SMILES

CN1C(=S)COC2=C1C=CC(=C2)SC3=CC(=CC(=C3)F)C4CC(CCO4)OC

InChI

InChI=1S/C21H22FNO3S2/c1-23-18-4-3-16(11-20(18)26-12-21(23)27)28-17-8-13(7-14(22)9-17)19-10-15(24-2)5-6-25-19/h3-4,7-9,11,15,19H,5-6,10,12H2,1-2H3