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

Systemtic Name: 3-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H25N5S/c24-15-20-10-7-11-21(14-20)18-29-23-26-25-22(17-27-12-5-2-6-13-27)28(23)16-19-8-3-1-4-9-19/h1,3-4,7-11,14H,2,5-6,12-13,16-18H2