4-chloranyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C17H13ClFN5O3S MolecularWeight: 421.833223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClFN5O3S/c1-28-17-22-21-15(23(17)12-5-3-11(19)4-6-12)9-20-16(25)10-2-7-13(18)14(8-10)24(26)27/h2-8H,9H2,1H3,(H,20,25)