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

Systemtic Name: N-(4-ethylsulfonylphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(4-ethylsulfonylphenyl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(4-ethylsulfonylphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(4-ethylsulfonylphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(4-esylphenyl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H17FN4O3S2 MolecularWeight: 456.513083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O3S2/c1-2-31(28,29)17-10-8-15(9-11-17)23-21(27)19-24-20(18-7-4-12-30-18)26(25-19)16-6-3-5-14(22)13-16/h3-13H,2H2,1H3,(H,23,27)