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

Systemtic Name: 5-(4-methylphenyl)-4-phenyl-7-phenylazanyl-1,4-thiazepin-4-ium-3-one Openeye Name: 7-anilino-4-phenyl-5-(p-tolyl)-1,4-thiazepin-4-ium-3-one CAS Name: 7-anilino-5-(4-methylphenyl)-4-phenyl-1,4-thiazepin-4-ium-3-one IUPAC Name: 7-anilino-5-(4-methylphenyl)-4-phenyl-1,4-thiazepin-4-ium-3-one Traditional Name: 7-anilino-4-phenyl-5-(p-tolyl)-1,4-thiazepin-4-ium-3-one Formula: C24H21N2OS+ MolecularWeight: 385.50134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=O)CSC(=C2)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=O)CSC(=C2)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

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