3-[3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-chloro-4-fluorophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-chloro-4-fluoro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C16H14ClFN4OS2 MolecularWeight: 396.889963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2CCC(=O)N)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2CCC(=O)N)SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H14ClFN4OS2/c17-12-8-11(18)4-3-10(12)9-25-16-21-20-15(13-2-1-7-24-13)22(16)6-5-14(19)23/h1-4,7-8H,5-6,9H2,(H2,19,23)