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

Systemtic Name: N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide CAS Name: N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide Formula: C25H19F3N4O2S MolecularWeight: 496.50417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H19F3N4O2S/c26-25(27,28)20-14-8-7-13-19(20)23(34)29-15-22-30-31-24(32(22)18-11-5-2-6-12-18)35-16-21(33)17-9-3-1-4-10-17/h1-14H,15-16H2,(H,29,34)