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

Systemtic Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-methyl-2-[[3-(trifluoromethyl)benzyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C19H14F3N3OS MolecularWeight: 389.39417

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H14F3N3OS/c1-25-17(26)16-15(13-7-2-3-8-14(13)23-16)24-18(25)27-10-11-5-4-6-12(9-11)19(20,21)22/h2-9,23H,10H2,1H3