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

Systemtic Name: 4-[4-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(3-nitrobenzyl)thio]-4-p-phenetyl-1,2,4-triazol-3-yl]pyridine Formula: C22H19N5O3S MolecularWeight: 433.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C22H19N5O3S/c1-2-30-20-8-6-18(7-9-20)26-21(17-10-12-23-13-11-17)24-25-22(26)31-15-16-4-3-5-19(14-16)27(28)29/h3-14H,2,15H2,1H3