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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrobenzyl)thio]acetamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-2-12-15-16-13(22-12)14-11(18)8-21-7-9-3-5-10(6-4-9)17(19)20/h3-6H,2,7-8H2,1H3,(H,14,16,18)