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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H11ClFN5OS MolecularWeight: 363.797143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl)F

InChI

InChI=1S/C15H11ClFN5OS/c16-11-7-10(1-2-12(11)17)19-13(23)8-24-15-20-14(21-22-15)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,23)(H,20,21,22)