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

Systemtic Name: 4-[[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-3-7-18(8-4-1)25-20(17-24-11-13-26-14-12-24)22-23-21(25)28-16-15-27-19-9-5-2-6-10-19/h1-10H,11-17H2/p+1