2-[[4-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-(3-chloro-4-fluoro-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[4-(3-chloro-4-fluoro-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C23H17ClFN5O4S MolecularWeight: 513.928583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)F)Cl)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)F)Cl)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H17ClFN5O4S/c1-34-16-9-6-14(7-10-16)22-27-28-23(29(22)15-8-11-18(25)17(24)12-15)35-13-21(31)26-19-4-2-3-5-20(19)30(32)33/h2-12H,13H2,1H3,(H,26,31)