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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)butyramide Formula: C12H14FN5OS MolecularWeight: 295.335863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=CN2N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=CN2N

InChI

InChI=1S/C12H14FN5OS/c1-2-10(20-12-17-15-7-18(12)14)11(19)16-9-5-3-8(13)4-6-9/h3-7,10H,2,14H2,1H3,(H,16,19)