4-tert-butyl-7-fluoranyl-6-isothiocyanato-1,4-benzoxazin-3-one

Systemtic Name: 4-tert-butyl-7-fluoranyl-6-isothiocyanato-1,4-benzoxazin-3-one Openeye Name: 4-tert-butyl-7-fluoro-6-isothiocyanato-1,4-benzoxazin-3-one CAS Name: 4-tert-butyl-7-fluoro-6-isothiocyanato-1,4-benzoxazin-3-one IUPAC Name: 4-tert-butyl-7-fluoro-6-isothiocyanato-1,4-benzoxazin-3-one Traditional Name: 4-tert-butyl-7-fluoro-6-isothiocyanato-1,4-benzoxazin-3-one Formula: C13H13FN2O2S MolecularWeight: 280.317923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)COC2=C1C=C(C(=C2)F)N=C=S

Isomeric SMILES

CC(C)(C)N1C(=O)COC2=C1C=C(C(=C2)F)N=C=S

InChI

InChI=1S/C13H13FN2O2S/c1-13(2,3)16-10-5-9(15-7-19)8(14)4-11(10)18-6-12(16)17/h4-5H,6H2,1-3H3