N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-9-fluoranyl-5-methoxy-12H-benzo[a]phenothiazin-6-amine

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-9-fluoranyl-5-methoxy-12H-benzo[a]phenothiazin-6-amine Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-9-fluoro-5-methoxy-12H-benzo[a]phenothiazin-6-amine CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-9-fluoro-5-methoxy-12H-benzo[a]phenothiazin-6-amine IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-9-fluoro-5-methoxy-12H-benzo[a]phenothiazin-6-amine Traditional Name: (4-chloro-2-methoxy-5-methyl-phenyl)-(9-fluoro-5-methoxy-12H-benzo[a]phenothiazin-6-yl)amine Formula: C25H20ClFN2O2S MolecularWeight: 466.954903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC

InChI

InChI=1S/C25H20ClFN2O2S/c1-13-10-19(20(30-2)12-17(13)26)29-23-24(31-3)16-7-5-4-6-15(16)22-25(23)32-21-11-14(27)8-9-18(21)28-22/h4-12,28-29H,1-3H3