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

Systemtic Name: 2-(dimethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-(dimethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide CAS Name: 2-(dimethylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-(dimethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-(dimethylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S2/c1-4-22-13-16-15-12(23-13)14-11(19)9-7-8(18(20)21)5-6-10(9)17(2)3/h5-7H,4H2,1-3H3,(H,14,15,19)