1-(4-fluorophenyl)-N-[3-(propanoylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[3-(propanoylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[3-(propanoylamino)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[3-(1-oxopropylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[3-(propanoylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-(3-propionamidophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C22H18FN5O2S MolecularWeight: 435.474023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O2S/c1-2-19(29)24-15-5-3-6-16(13-15)25-22(30)20-26-21(18-7-4-12-31-18)28(27-20)17-10-8-14(23)9-11-17/h3-13H,2H2,1H3,(H,24,29)(H,25,30)