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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C14H18FN5OS MolecularWeight: 323.389023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FN5OS/c1-2-3-4-12-18-19-14(20(12)16)22-9-13(21)17-11-7-5-10(15)6-8-11/h5-8H,2-4,9,16H2,1H3,(H,17,21)