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

Systemtic Name: N-(3-chloranyl-2-fluoranyl-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-fluoro-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-2-fluorophenyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-2-fluorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2-fluoro-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H15ClFN5OS MolecularWeight: 439.893103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=CC=C3)Cl)F)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=CC=C3)Cl)F)C4=CN=CC=C4

InChI

InChI=1S/C21H15ClFN5OS/c22-16-9-4-10-17(19(16)23)25-18(29)13-30-21-27-26-20(14-6-5-11-24-12-14)28(21)15-7-2-1-3-8-15/h1-12H,13H2,(H,25,29)