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

Systemtic Name: 3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[[3-(trifluoromethyl)benzyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H16F3N3OS MolecularWeight: 415.43145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N3OS/c1-2-10-27-19(28)18-17(15-8-3-4-9-16(15)25-18)26-20(27)29-12-13-6-5-7-14(11-13)21(22,23)24/h2-9,11,25H,1,10,12H2