3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-benzyl-3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H17FN4OS MolecularWeight: 356.417183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN4OS/c19-15-8-6-14(7-9-15)17-21-22-18(25)23(17)11-10-16(24)20-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,24)(H,22,25)