2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C21H22F3N5OS MolecularWeight: 449.49249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22F3N5OS/c1-2-17(18(30)26-16-10-6-9-15(13-16)21(22,23)24)29-19(25)27-28-20(29)31-12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H2,25,27)(H,26,30)