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

Systemtic Name: 3-ethoxy-1-ethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 3-ethoxy-1-ethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide CAS Name: 3-ethoxy-1-ethyl-N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 3-ethoxy-1-ethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Traditional Name: 3-ethoxy-1-ethyl-N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Formula: C17H18N6O4S2 MolecularWeight: 434.49262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S2/c1-3-22-9-13(15(21-22)27-4-2)14(24)18-16-19-20-17(29-16)28-10-11-6-5-7-12(8-11)23(25)26/h5-9H,3-4,10H2,1-2H3,(H,18,19,24)