7-(4-methylphenyl)sulfonyl-4-phenyl-3,4,5,6-tetrahydro-1H-pyrimido[5,4-d][1]benzazepine-2-thione

Systemtic Name: 7-(4-methylphenyl)sulfonyl-4-phenyl-3,4,5,6-tetrahydro-1H-pyrimido[5,4-d][1]benzazepine-2-thione Openeye Name: 4-phenyl-7-(p-tolylsulfonyl)-3,4,5,6-tetrahydro-1H-pyrimido[5,4-d][1]benzazepine-2-thione CAS Name: 7-(4-methylphenyl)sulfonyl-4-phenyl-3,4,5,6-tetrahydro-1H-pyrimido[5,4-d][1]benzazepine-2-thione IUPAC Name: 7-(4-methylphenyl)sulfonyl-4-phenyl-3,4,5,6-tetrahydro-1H-pyrimido[5,4-d][1]benzazepine-2-thione Traditional Name: 4-phenyl-7-tosyl-3,4,5,6-tetrahydro-1H-pyrimido[5,4-d][1]benzazepine-2-thione Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC=CC=C42)NC(=S)NC3C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC=CC=C42)NC(=S)NC3C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S2/c1-17-11-13-19(14-12-17)32(29,30)28-16-15-21-23(18-7-3-2-4-8-18)26-25(31)27-24(21)20-9-5-6-10-22(20)28/h2-14,23H,15-16H2,1H3,(H2,26,27,31)