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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C20H21FN6O2S MolecularWeight: 428.483143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)CC(=O)N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)CC(=O)N

InChI

InChI=1S/C20H21FN6O2S/c21-13-3-5-15(6-4-13)27-19(16-2-1-11-30-16)24-18(25-27)20(29)23-14-7-9-26(10-8-14)12-17(22)28/h1-6,11,14H,7-10,12H2,(H2,22,28)(H,23,29)