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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C24H18ClFN4O2S MolecularWeight: 480.941723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClFN4O2S/c25-18-9-5-11-20(13-18)30-22(14-27-23(32)17-8-4-10-19(26)12-17)28-29-24(30)33-15-21(31)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,32)