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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C14H16FN5OS MolecularWeight: 321.373143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C14H16FN5OS/c15-11-5-1-9(2-6-11)7-17-12(21)8-22-14-19-18-13(20(14)16)10-3-4-10/h1-2,5-6,10H,3-4,7-8,16H2,(H,17,21)