1-(3-fluorophenyl)-5-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(3-fluorophenyl)-5-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-(3-fluorophenyl)-5-(2-thienyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(3-fluorophenyl)-5-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(3-fluorophenyl)-5-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(3-fluorophenyl)-5-(2-thienyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide Formula: C22H19FN4O4S MolecularWeight: 454.474063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H19FN4O4S/c1-29-16-11-14(12-17(30-2)19(16)31-3)24-22(28)20-25-21(18-8-5-9-32-18)27(26-20)15-7-4-6-13(23)10-15/h4-12H,1-3H3,(H,24,28)