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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4

InChI

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