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

Systemtic Name: 3-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-benzyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H23N5S/c23-14-19-9-6-10-20(13-19)17-28-22-25-24-21(16-26-11-4-5-12-26)27(22)15-18-7-2-1-3-8-18/h1-3,6-10,13H,4-5,11-12,15-17H2