N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]propanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]propionamide Formula: C21H16ClF3N4OS MolecularWeight: 464.89115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC(C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SC(C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C21H16ClF3N4OS/c1-11-9-18-27-28-20(29(18)17-6-4-3-5-14(11)17)31-12(2)19(30)26-16-10-13(21(23,24)25)7-8-15(16)22/h3-10,12H,1-2H3,(H,26,30)