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

Systemtic Name: 3-ethoxy-1-ethyl-N-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: N-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-ethoxy-1-ethyl-pyrazole-4-carboxamide CAS Name: 3-ethoxy-1-ethyl-N-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-ethoxy-1-ethyl-N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Traditional Name: N-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Formula: C13H17N5O3S2 MolecularWeight: 355.43578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)C

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)C

InChI

InChI=1S/C13H17N5O3S2/c1-4-18-6-9(11(17-18)21-5-2)10(20)14-12-15-16-13(23-12)22-7-8(3)19/h6H,4-5,7H2,1-3H3,(H,14,15,20)