N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide CAS Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide Formula: C17H13F3N4OS MolecularWeight: 378.37153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H13F3N4OS/c18-17(19,20)13-9-5-4-8-12(13)15(25)21-10-14-22-23-16(26)24(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H,23,26)