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

Systemtic Name: 3-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C24H16F3N3OS MolecularWeight: 451.46355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C24H16F3N3OS/c25-24(26,27)16-8-6-7-15(13-16)14-32-23-29-20-18-11-4-5-12-19(18)28-21(20)22(31)30(23)17-9-2-1-3-10-17/h1-13,28H,14H2