1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]-4-methoxy-pyrazole-3-carboxamide Formula: C20H21FN6O3S2 MolecularWeight: 476.547543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN6O3S2/c1-30-15-11-27(14-7-5-13(21)6-8-14)25-17(15)18(29)22-19-23-24-20(32-19)31-12-16(28)26-9-3-2-4-10-26/h5-8,11H,2-4,9-10,12H2,1H3,(H,22,23,29)