9-fluoranyl-5-methoxy-N-(2-methoxy-5-methyl-phenyl)-12H-benzo[a]phenothiazin-6-amine

Systemtic Name: 9-fluoranyl-5-methoxy-N-(2-methoxy-5-methyl-phenyl)-12H-benzo[a]phenothiazin-6-amine Openeye Name: 9-fluoro-5-methoxy-N-(2-methoxy-5-methyl-phenyl)-12H-benzo[a]phenothiazin-6-amine CAS Name: 9-fluoro-5-methoxy-N-(2-methoxy-5-methylphenyl)-12H-benzo[a]phenothiazin-6-amine IUPAC Name: 9-fluoro-5-methoxy-N-(2-methoxy-5-methylphenyl)-12H-benzo[a]phenothiazin-6-amine Traditional Name: (9-fluoro-5-methoxy-12H-benzo[a]phenothiazin-6-yl)-(2-methoxy-5-methyl-phenyl)amine Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC

InChI

InChI=1S/C25H21FN2O2S/c1-14-8-11-20(29-2)19(12-14)28-23-24(30-3)17-7-5-4-6-16(17)22-25(23)31-21-13-15(26)9-10-18(21)27-22/h4-13,27-28H,1-3H3