3-fluoranyl-N-[2-methoxy-5-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-methoxy-5-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]benzamide Openeye Name: 3-fluoro-N-[2-methoxy-5-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]benzamide CAS Name: 3-fluoro-N-[2-methoxy-5-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]phenyl]benzamide IUPAC Name: 3-fluoro-N-[2-methoxy-5-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]benzamide Traditional Name: 3-fluoro-N-[2-methoxy-5-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]benzamide Formula: C23H20FN5O3S2 MolecularWeight: 497.565003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H20FN5O3S2/c1-32-18-8-7-16(13-17(18)26-22(31)14-4-2-5-15(24)12-14)25-20(30)9-10-29-21(27-28-23(29)33)19-6-3-11-34-19/h2-8,11-13H,9-10H2,1H3,(H,25,30)(H,26,31)(H,28,33)