3-ethoxy-1-ethyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

Systemtic Name: 3-ethoxy-1-ethyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 3-ethoxy-1-ethyl-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide CAS Name: 3-ethoxy-1-ethyl-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-ethoxy-1-ethyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Traditional Name: 3-ethoxy-1-ethyl-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2S2/c1-3-26-12-17(19(25-26)28-4-2)18(27)22-20-23-24-21(30-20)29-13-15-10-7-9-14-8-5-6-11-16(14)15/h5-12H,3-4,13H2,1-2H3,(H,22,23,27)