N-[(3-fluoranyl-4-methoxy-phenyl)methyl]phenoxathiin-3-amine

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]phenoxathiin-3-amine Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]phenoxathiin-3-amine CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-3-phenoxathiinamine IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]phenoxathiin-3-amine Traditional Name: (3-fluoro-4-methoxy-benzyl)-phenoxathiin-3-yl-amine Formula: C20H16FNO2S MolecularWeight: 353.409943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3)F

InChI

InChI=1S/C20H16FNO2S/c1-23-16-8-6-13(10-15(16)21)12-22-14-7-9-20-18(11-14)24-17-4-2-3-5-19(17)25-20/h2-11,22H,12H2,1H3