N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: N-[3-(phenylthio)propyl]-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: N-[3-(phenylthio)propyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C19H17F3N4OS MolecularWeight: 406.42469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H17F3N4OS/c20-19(21,22)15-9-4-5-10-17(15)26-13-16(24-25-26)18(27)23-11-6-12-28-14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,27)