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

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C17H13FN4O4S2 MolecularWeight: 420.437923

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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)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN4O4S2/c1-26-14-7-4-11(8-13(14)22(24)25)15(23)19-16-20-21-17(28-16)27-9-10-2-5-12(18)6-3-10/h2-8H,9H2,1H3,(H,19,20,23)