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

Systemtic Name: 1-(3-fluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: 1-(3-fluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(3-fluorophenyl)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(3-fluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(3-fluorophenyl)-N-[2-(isobutyrylamino)ethyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C19H20FN5O2S MolecularWeight: 401.457803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H20FN5O2S/c1-12(2)18(26)21-8-9-22-19(27)16-23-17(15-7-4-10-28-15)25(24-16)14-6-3-5-13(20)11-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,26)(H,22,27)