4-methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine

Systemtic Name: 4-methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine Openeye Name: 4-methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine CAS Name: 4-methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine IUPAC Name: 4-methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine Traditional Name: 4-methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine Formula: C17H12F3NS MolecularWeight: 319.34409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2SC(=C1C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2SC(=C1C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3NS/c1-11-15(12-7-3-2-4-8-12)16(17(18,19)20)22-14-10-6-5-9-13(14)21-11/h2-10H,1H3