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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-morpholino-3-nitro-benzamide Formula: C15H17N5O4S2 MolecularWeight: 395.45658

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S2/c1-2-25-15-18-17-14(26-15)16-13(21)10-3-4-11(12(9-10)20(22)23)19-5-7-24-8-6-19/h3-4,9H,2,5-8H2,1H3,(H,16,17,21)