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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C15H18F3N5OS MolecularWeight: 373.39653

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)N2C(=NN=C2SCC)N

InChI

InChI=1S/C15H18F3N5OS/c1-3-11(23-13(19)21-22-14(23)25-4-2)12(24)20-10-8-6-5-7-9(10)15(16,17)18/h5-8,11H,3-4H2,1-2H3,(H2,19,21)(H,20,24)