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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-5-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Formula: C12H13N5O3S2 MolecularWeight: 339.39332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S2/c1-3-21-12-16-15-11(22-12)14-10(18)8-6-7(17(19)20)4-5-9(8)13-2/h4-6,13H,3H2,1-2H3,(H,14,15,18)