4-[2-oxidanyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propoxy]benzonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C23H25N5O2S/c24-15-18-9-11-21(12-10-18)30-16-20(29)17-31-23-26-25-22(27-13-5-2-6-14-27)28(23)19-7-3-1-4-8-19/h1,3-4,7-12,20,29H,2,5-6,13-14,16-17H2