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

Systemtic Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-ethyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C17H22N4O2S/c1-2-21-16(12-20-8-10-23-11-9-20)18-19-17(21)24-13-15(22)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3/p+1