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

Systemtic Name: 2-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-3-[3-(trifluoromethyl)phenyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC=C42

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC=C42

InChI

InChI=1S/C21H18F3N3OS/c1-2-3-11-29-20-26-17-15-9-4-5-10-16(15)25-18(17)19(28)27(20)14-8-6-7-13(12-14)21(22,23)24/h4-10,12,25H,2-3,11H2,1H3