1-(4-fluorophenyl)-4-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-methoxy-pyrazole-3-carboxamide Formula: C20H16FN5O2S2 MolecularWeight: 441.501743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FN5O2S2/c1-28-16-11-26(15-9-7-14(21)8-10-15)25-17(16)18(27)22-19-23-24-20(30-19)29-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,27)