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

Systemtic Name: N-(3-cyanophenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-cyanophenyl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H25N6OS+ MolecularWeight: 433.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H24N6OS/c24-15-18-8-7-9-19(14-18)25-22(30)17-31-23-27-26-21(16-28-12-5-2-6-13-28)29(23)20-10-3-1-4-11-20/h1,3-4,7-11,14H,2,5-6,12-13,16-17H2,(H,25,30)/p+1