1-[4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C12H11N3O3S3 MolecularWeight: 341.42904

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S3/c1-3-19-11-13-14-12(21-11)20-10-5-4-8(7(2)16)6-9(10)15(17)18/h4-6H,3H2,1-2H3