2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-nitro-isoindoline-1,3-quinone Formula: C12H8N4O4S2 MolecularWeight: 336.34632

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O4S2/c1-2-21-12-14-13-11(22-12)15-9(17)7-4-3-6(16(19)20)5-8(7)10(15)18/h3-5H,2H2,1H3