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

Systemtic Name: N-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Openeye Name: N-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide CAS Name: N-[5-[(4-methoxy-3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide IUPAC Name: N-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide Traditional Name: N-[5-[(4-methoxy-3-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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