3,4-dimethoxy-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4-dimethoxy-N-[5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H18N4O6S2/c1-27-14-7-5-13(23(25)26)8-12(14)10-30-19-22-21-18(31-19)20-17(24)11-4-6-15(28-2)16(9-11)29-3/h4-9H,10H2,1-3H3,(H,20,21,24)