5-oxidanidyl-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-thione

Systemtic Name: 5-oxidanidyl-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-thione Openeye Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-thione CAS Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-thione IUPAC Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-thione Traditional Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-thione Formula: C14H8F3NOS2 MolecularWeight: 327.34463

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=CS[N+](=C3C(=C2C1=S)C=CC=C3C(F)(F)F)[O-]

Isomeric SMILES

C1C=CC2=CS[N+](=C3C(=C2C1=S)C=CC=C3C(F)(F)F)[O-]

InChI

InChI=1S/C14H8F3NOS2/c15-14(16,17)10-5-2-4-9-12-8(3-1-6-11(12)20)7-21-18(19)13(9)10/h1-5,7H,6H2