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

Systemtic Name: 2-chloranyl-6-fluoranyl-N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-chloro-6-fluoro-N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-chloro-6-fluoro-N-[[4-(2-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-chloro-6-fluoro-N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-chloro-6-fluoro-N-[[4-(2-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C18H16ClFN4O2S MolecularWeight: 406.861643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SC)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SC)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H16ClFN4O2S/c1-26-14-9-4-3-8-13(14)24-15(22-23-18(24)27-2)10-21-17(25)16-11(19)6-5-7-12(16)20/h3-9H,10H2,1-2H3,(H,21,25)