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

Systemtic Name: 4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethoxy]benzonitrile Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N5OS/c23-17-18-9-11-20(12-10-18)28-15-16-29-22-25-24-21(26-13-5-2-6-14-26)27(22)19-7-3-1-4-8-19/h1,3-4,7-12H,2,5-6,13-16H2