2-(2-ethylsulfonylethylsulfanyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(2-ethylsulfonylethylsulfanyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole Openeye Name: 2-(2-ethylsulfonylethylsulfanyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole CAS Name: 2-(2-ethylsulfonylethylthio)-5-(4-nitrophenyl)-1,3,4-thiadiazole IUPAC Name: 2-(2-ethylsulfonylethylsulfanyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole Traditional Name: 2-(2-esylethylthio)-5-(4-nitrophenyl)-1,3,4-thiadiazole Formula: C12H13N3O4S3 MolecularWeight: 359.44432

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCSC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)CCSC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S3/c1-2-22(18,19)8-7-20-12-14-13-11(21-12)9-3-5-10(6-4-9)15(16)17/h3-6H,2,7-8H2,1H3