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

Systemtic Name: 4-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-phenyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-phenyl-5-[3-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-phenyl-5-(3-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C27H25N5O2S2 MolecularWeight: 515.6497

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H25N5O2S2/c28-19-21-12-14-22(15-13-21)20-35-27-30-29-26(32(27)24-9-3-1-4-10-24)23-8-7-11-25(18-23)36(33,34)31-16-5-2-6-17-31/h1,3-4,7-15,18H,2,5-6,16-17,20H2