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

Systemtic Name: 3-ethoxy-1-ethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 3-ethoxy-1-ethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide CAS Name: 3-ethoxy-1-ethyl-N-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-ethoxy-1-ethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 3-ethoxy-1-ethyl-N-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2S2/c1-3-23-12-14(16(22-23)25-4-2)15(24)19-17-20-21-18(27-17)26-11-10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,20,24)