4-(4-methylphenyl)-5-phenyl-7-phenylazanyl-1,4-thiazepin-4-ium-3-one chloride

Systemtic Name: 4-(4-methylphenyl)-5-phenyl-7-phenylazanyl-1,4-thiazepin-4-ium-3-one chloride Openeye Name: 7-anilino-5-phenyl-4-(p-tolyl)-1,4-thiazepin-4-ium-3-one chloride CAS Name: 7-anilino-4-(4-methylphenyl)-5-phenyl-1,4-thiazepin-4-ium-3-one chloride IUPAC Name: 7-anilino-4-(4-methylphenyl)-5-phenyl-1,4-thiazepin-4-ium-3-one chloride Traditional Name: 7-anilino-5-phenyl-4-(p-tolyl)-1,4-thiazepin-4-ium-3-one chloride Formula: C24H21ClN2OS MolecularWeight: 420.95434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(SCC2=O)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(SCC2=O)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H20N2OS.ClH/c1-18-12-14-21(15-13-18)26-22(19-8-4-2-5-9-19)16-23(28-17-24(26)27)25-20-10-6-3-7-11-20;/h2-16H,17H2,1H3;1H