2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluorobenzyl)acetamide Formula: C16H15FN6OS MolecularWeight: 358.393303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)F

InChI

InChI=1S/C16H15FN6OS/c17-13-6-2-1-4-11(13)9-20-14(24)10-25-16-22-21-15(23(16)18)12-5-3-7-19-8-12/h1-8H,9-10,18H2,(H,20,24)