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

Systemtic Name: 2-ethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-ethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-ethoxy-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-ethoxy-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-ethoxy-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-2-26-15-6-4-3-5-14(15)16(23)19-17-20-21-18(28-17)27-11-12-7-9-13(10-8-12)22(24)25/h3-10H,2,11H2,1H3,(H,19,20,23)