3-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-nitrophenyl)-2-[[3-(trifluoromethyl)benzyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C24H15F3N4O3S MolecularWeight: 496.46111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)C(F)(F)F)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)C(F)(F)F)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H15F3N4O3S/c25-24(26,27)15-5-3-4-14(12-15)13-35-23-29-20-18-6-1-2-7-19(18)28-21(20)22(32)30(23)16-8-10-17(11-9-16)31(33)34/h1-12,28H,13H2