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

Systemtic Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C18H12N4O5S2 MolecularWeight: 428.44168

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S2/c1-2-28-18-20-19-17(29-18)21-15(23)13-8-7-12(9-14(13)16(21)24)27-11-5-3-10(4-6-11)22(25)26/h3-9H,2H2,1H3