2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[4-methyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-acetamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H25N5O2S/c1-25-20(16-26-12-14-29-15-13-26)23-24-22(25)30-17-21(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3/p+1