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

Systemtic Name: 2-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-isopropylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(propan-2-ylthio)-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(isopropylthio)-3-[3-(trifluoromethyl)phenyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H16F3N3OS MolecularWeight: 403.42075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC=C42

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC=C42

InChI

InChI=1S/C20H16F3N3OS/c1-11(2)28-19-25-16-14-8-3-4-9-15(14)24-17(16)18(27)26(19)13-7-5-6-12(10-13)20(21,22)23/h3-11,24H,1-2H3