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

Systemtic Name: N-(4-phenylphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-phenylphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-phenylphenyl)-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-phenylphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-phenylphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H28N5OS+ MolecularWeight: 470.60912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5OS/c33-26(28-23-15-13-22(14-16-23)21-9-3-1-4-10-21)20-34-27-30-29-25(19-31-17-7-8-18-31)32(27)24-11-5-2-6-12-24/h1-6,9-16H,7-8,17-20H2,(H,28,33)/p+1