2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C14H16ClFN4O2S MolecularWeight: 358.818843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H16ClFN4O2S/c1-2-3-6-20-13(22)18-19-14(20)23-8-12(21)17-9-4-5-11(16)10(15)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,17,21)(H,18,22)