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

Systemtic Name: 4-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-methyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-methyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C15H20N5O3S+ MolecularWeight: 350.416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C[NH+]3CCOCC3

InChI

InChI=1S/C15H19N5O3S/c1-18-14(10-19-5-7-23-8-6-19)16-17-15(18)24-11-12-3-2-4-13(9-12)20(21)22/h2-4,9H,5-8,10-11H2,1H3/p+1