Name: compound 4a

IUPAC: 4-[3-(3-hydroxypropyl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

SMILES: CC1(C)C(=N)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCO

Canonical SMILES: CC1(C(=N)N(C(=S)N1CCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Summenformel: C16H17F3N4OS

Molare Masse: 370.40

InChIKey: XZDHIGPTVXKZRU-UHFFFAOYSA-N

InChI:

InChI=1S/C16H17F3N4OS/c1-15(2)13(21)23(14(25)22(15)6-3-7-24)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8,21,24H,3,6-7H2,1-2H3

Synonyme

4-[4,4-dimethyl-3-(3-hydroxypropyl)-5-imino-2-thioxo-1-imidazolidinyl]-2-trifluoromethyl-benzonitrileSCHEMBL2695022