2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5OS/c1-24-11-10-23-17(14-6-8-20-9-7-14)21-22-18(23)25-13-16-5-3-2-4-15(16)12-19/h2-9H,10-11,13H2,1H3