2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)butanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)butyramide Formula: C16H21FN4O2S MolecularWeight: 352.426943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(CC)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(CC)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN4O2S/c1-3-5-10-21-15(23)19-20-16(21)24-13(4-2)14(22)18-12-8-6-11(17)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,22)(H,19,23)