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

Systemtic Name: 2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(phenacylthio)-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-phenacylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(phenacylthio)-3-[3-(trifluoromethyl)phenyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C25H16F3N3O2S MolecularWeight: 479.47365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53

InChI

InChI=1S/C25H16F3N3O2S/c26-25(27,28)16-9-6-10-17(13-16)31-23(33)22-21(18-11-4-5-12-19(18)29-22)30-24(31)34-14-20(32)15-7-2-1-3-8-15/h1-13,29H,14H2