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

Systemtic Name: 4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C22H17N5OS MolecularWeight: 399.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C22H17N5OS/c23-16-17-6-8-20(9-7-17)28-14-15-29-22-26-25-21(18-10-12-24-13-11-18)27(22)19-4-2-1-3-5-19/h1-13H,14-15H2