N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)-4-nitro-benzamide

Systemtic Name: N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-[3-ethyl-5-(ethylthio)-1,3,4-thiadiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-[3-ethyl-5-(ethylthio)-1,3,4-thiadiazol-2-ylidene]-4-nitro-benzamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(=N1)SCC

Isomeric SMILES

CCN1C(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(=N1)SCC

InChI

InChI=1S/C13H14N4O3S2/c1-3-16-12(22-13(15-16)21-4-2)14-11(18)9-5-7-10(8-6-9)17(19)20/h5-8H,3-4H2,1-2H3