3-[bis(2-methylpropyl)amino]-6-fluoranyl-thiochromen-4-one

Systemtic Name: 3-[bis(2-methylpropyl)amino]-6-fluoranyl-thiochromen-4-one Openeye Name: 3-(diisobutylamino)-6-fluoro-thiochromen-4-one CAS Name: 3-[bis(2-methylpropyl)amino]-6-fluoro-1-benzothiopyran-4-one IUPAC Name: 3-[bis(2-methylpropyl)amino]-6-fluorothiochromen-4-one Traditional Name: 3-(diisobutylamino)-6-fluoro-thiochromen-4-one Formula: C17H22FNOS MolecularWeight: 307.426083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=CSC2=C(C1=O)C=C(C=C2)F

Isomeric SMILES

CC(C)CN(CC(C)C)C1=CSC2=C(C1=O)C=C(C=C2)F

InChI

InChI=1S/C17H22FNOS/c1-11(2)8-19(9-12(3)4)15-10-21-16-6-5-13(18)7-14(16)17(15)20/h5-7,10-12H,8-9H2,1-4H3