4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)C#N)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C17H15N5OS/c1-22-16(14-6-8-19-9-7-14)20-21-17(22)24-11-10-23-15-4-2-13(12-18)3-5-15/h2-9H,10-11H2,1H3