4-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile CAS Name: 4-[[5-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile IUPAC Name: 4-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Traditional Name: 4-[[5-[(2-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Formula: C23H17ClN4OS MolecularWeight: 432.92528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17ClN4OS/c24-21-9-5-4-6-18(21)16-30-23-27-26-22(28(23)19-7-2-1-3-8-19)15-29-20-12-10-17(14-25)11-13-20/h1-13H,15-16H2