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

Systemtic Name: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-[(3-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C17H13FN4O3S2 MolecularWeight: 404.438523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H13FN4O3S2/c1-10-13(6-3-7-14(10)22(24)25)15(23)19-16-20-21-17(27-16)26-9-11-4-2-5-12(18)8-11/h2-8H,9H2,1H3,(H,19,20,23)