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

Systemtic Name: N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S2/c1-27-16-9-8-15(23(25)26)11-14(16)12-28-19-22-21-18(29-19)20-17(24)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,21,24)