2-chloranyl-6-fluoranyl-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-chloranyl-6-fluoranyl-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-chloro-6-fluoro-N-[[4-(m-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-chloro-6-fluoro-N-[[4-(3-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-chloro-6-fluoro-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-chloro-6-fluoro-N-[[4-(m-tolyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H20ClFN4O2S MolecularWeight: 494.968303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H20ClFN4O2S/c1-16-7-5-10-18(13-16)31-22(14-28-24(33)23-19(26)11-6-12-20(23)27)29-30-25(31)34-15-21(32)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,28,33)