1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-nitrophenyl)-3-phenyl-1-(p-tolyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-nitrophenyl)-3-phenyl-1-(p-tolyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=O)CSC(C3=C(N2)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=O)CSC(C3=C(N2)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O3S/c1-16-7-11-19(12-8-16)28-25-22(23(27-28)17-5-3-2-4-6-17)24(33-15-21(30)26-25)18-9-13-20(14-10-18)29(31)32/h2-14,24,27H,15H2,1H3