1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methylsulfanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methylsulfanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3-methylsulfanylpropyl)triazole-4-carboxamide CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(methylthio)propyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylsulfanylpropyl)triazole-4-carboxamide Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-N-[3-(methylthio)propyl]triazole-4-carboxamide Formula: C14H16ClFN4OS MolecularWeight: 342.819443

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1=CN(N=N1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CSCCCNC(=O)C1=CN(N=N1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C14H16ClFN4OS/c1-22-6-2-5-17-14(21)13-9-20(19-18-13)8-10-3-4-11(16)7-12(10)15/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,21)