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

Systemtic Name: 1-(4-fluorophenyl)-N-methyl-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-methyl-N-[(3-nitrophenyl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-methyl-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-N-methyl-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-methyl-N-(3-nitrobenzyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H16FN5O3S MolecularWeight: 437.446843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O3S/c1-25(13-14-4-2-5-17(12-14)27(29)30)21(28)19-23-20(18-6-3-11-31-18)26(24-19)16-9-7-15(22)8-10-16/h2-12H,13H2,1H3