3-(methoxymethyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(methoxymethyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(methoxymethyl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(methoxymethyl)-5-[(4-methoxy-3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(methoxymethyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(methoxymethyl)-5-[(4-methoxy-3-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-25-11-17-19-20-18(21(17)14-6-4-3-5-7-14)27-12-13-8-9-16(26-2)15(10-13)22(23)24/h3-10H,11-12H2,1-2H3