4-[[3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 4-[[3-(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzonitrile CAS Name: 4-[[3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzonitrile IUPAC Name: 4-[[3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]methoxy]benzonitrile Traditional Name: 4-[3-(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzyl]oxybenzonitrile Formula: C24H20N4OS MolecularWeight: 412.5068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H20N4OS/c25-16-19-9-11-22(12-10-19)29-17-20-7-4-8-21(15-20)23-26-27-24(30)28(23)14-13-18-5-2-1-3-6-18/h1-12,15H,13-14,17H2,(H,27,30)