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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3S2/c1-3-20-12-15-14-11(21-12)13-10(17)8-5-4-7(2)9(6-8)16(18)19/h4-6H,3H2,1-2H3,(H,13,14,17)