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

Systemtic Name: 4-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C#N

InChI

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