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

Systemtic Name: 3,4-diethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4-diethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4-diethoxy-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-diethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4-diethoxy-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H20N4O5S2/c1-3-28-16-10-7-14(11-17(16)29-4-2)18(25)21-19-22-23-20(31-19)30-12-13-5-8-15(9-6-13)24(26)27/h5-11H,3-4,12H2,1-2H3,(H,21,22,25)