5-(4-methylphenyl)-4-phenyl-1,4-thiazepine-3,7-dione

Systemtic Name: 5-(4-methylphenyl)-4-phenyl-1,4-thiazepine-3,7-dione Openeye Name: 4-phenyl-5-(p-tolyl)-1,4-thiazepine-3,7-dione CAS Name: 5-(4-methylphenyl)-4-phenyl-1,4-thiazepine-3,7-dione IUPAC Name: 5-(4-methylphenyl)-4-phenyl-1,4-thiazepine-3,7-dione Traditional Name: 4-phenyl-5-(p-tolyl)-1,4-thiazepine-3,7-quinone Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)SCC(=O)N2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)SCC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C18H15NO2S/c1-13-7-9-14(10-8-13)16-11-18(21)22-12-17(20)19(16)15-5-3-2-4-6-15/h2-11H,12H2,1H3