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

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H17FN4O3S MolecularWeight: 424.448083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F)OC

InChI

InChI=1S/C21H17FN4O3S/c1-28-16-9-8-14(12-17(16)29-2)23-21(27)19-24-20(18-7-4-10-30-18)26(25-19)15-6-3-5-13(22)11-15/h3-12H,1-2H3,(H,23,27)