4-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4O2S/c1-2-21-16(14-20-8-10-22-11-9-20)18-19-17(21)24-13-12-23-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/p+1