N-(3-fluoranyl-4-methoxy-phenyl)thian-4-amine

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)thian-4-amine Openeye Name: N-(3-fluoro-4-methoxy-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(3-fluoro-4-methoxyphenyl)-4-thianamine IUPAC Name: N-(3-fluoro-4-methoxyphenyl)thian-4-amine Traditional Name: (3-fluoro-4-methoxy-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C12H16FNOS MolecularWeight: 241.324943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCSCC2)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2CCSCC2)F

InChI

InChI=1S/C12H16FNOS/c1-15-12-3-2-10(8-11(12)13)14-9-4-6-16-7-5-9/h2-3,8-9,14H,4-7H2,1H3