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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C14H17N5O4S2 MolecularWeight: 383.44588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4S2/c1-3-24-14-18-17-13(25-14)16-12(20)10-8-9(19(21)22)4-5-11(10)15-6-7-23-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,16,17,20)