3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H18N4O4S/c1-21-17(13-6-9-15(25-2)16(10-13)26-3)19-20-18(21)27-11-12-4-7-14(8-5-12)22(23)24/h4-10H,11H2,1-3H3