2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C17H10F3N3OS MolecularWeight: 361.34101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C17H10F3N3OS/c18-17(19,20)9-4-3-5-10(8-9)23-15(24)14-13(22-16(23)25)11-6-1-2-7-12(11)21-14/h1-8,21H,(H,22,25)