N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H15FN4OS2 MolecularWeight: 362.444903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)F

InChI

InChI=1S/C16H15FN4OS2/c1-10-7-11(4-5-12(10)17)8-18-14(22)9-21-15(19-20-16(21)23)13-3-2-6-24-13/h2-7H,8-9H2,1H3,(H,18,22)(H,20,23)