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

Systemtic Name: 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C15H12ClFN6OS MolecularWeight: 378.811783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3)Cl)F

InChI

InChI=1S/C15H12ClFN6OS/c16-11-7-10(1-2-12(11)17)20-13(24)8-25-15-22-21-14(23(15)18)9-3-5-19-6-4-9/h1-7H,8,18H2,(H,20,24)