N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-fluoranyl-4-methyl-5-nitro-benzamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-fluoranyl-4-methyl-5-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methyl-5-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methyl-5-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitro-benzamide Formula: C12H11FN4O3S2 MolecularWeight: 342.369143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN4O3S2/c1-3-21-12-16-15-11(22-12)14-10(18)7-4-8(13)6(2)9(5-7)17(19)20/h4-5H,3H2,1-2H3,(H,14,15,18)