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

Systemtic Name: 4-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C15H20BrN4OS+ MolecularWeight: 384.3145

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C[NH+]3CCOCC3

InChI

InChI=1S/C15H19BrN4OS/c1-19-14(10-20-6-8-21-9-7-20)17-18-15(19)22-11-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3/p+1