3-[4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-29-19-10-8-17(9-11-19)25-20(16-3-2-12-22-13-16)23-24-21(25)30-14-15-4-6-18(7-5-15)26(27)28/h2-13H,14H2,1H3