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

Systemtic Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C15H19N5O2S/c16-13(21)11-23-15-18-17-14(10-19-6-8-22-9-7-19)20(15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,21)/p+1