N-[[2,3,4-tris(fluoranyl)phenyl]methyl]phenoxathiin-3-amine

Systemtic Name: N-[[2,3,4-tris(fluoranyl)phenyl]methyl]phenoxathiin-3-amine Openeye Name: N-[(2,3,4-trifluorophenyl)methyl]phenoxathiin-3-amine CAS Name: N-[(2,3,4-trifluorophenyl)methyl]-3-phenoxathiinamine IUPAC Name: N-[(2,3,4-trifluorophenyl)methyl]phenoxathiin-3-amine Traditional Name: phenoxathiin-3-yl-(2,3,4-trifluorobenzyl)amine Formula: C19H12F3NOS MolecularWeight: 359.36489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)NCC4=C(C(=C(C=C4)F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)NCC4=C(C(=C(C=C4)F)F)F

InChI

InChI=1S/C19H12F3NOS/c20-13-7-5-11(18(21)19(13)22)10-23-12-6-8-17-15(9-12)24-14-3-1-2-4-16(14)25-17/h1-9,23H,10H2