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

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-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=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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