N-phenyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-phenyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-phenyl-2-[[4-(phenylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(23-19-11-5-2-6-12-19)17-29-22-25-24-20(16-26-13-7-8-14-26)27(22)15-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,23,28)/p+1