3-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-chloro-6-fluorophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-chloro-6-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=CC(=C(C(=C1)Cl)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

InChI

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