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

Systemtic Name: 3,4-dimethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4-dimethoxy-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N4O5S2/c1-26-14-8-5-12(9-15(14)27-2)16(23)19-17-20-21-18(29-17)28-10-11-3-6-13(7-4-11)22(24)25/h3-9H,10H2,1-2H3,(H,19,20,23)