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

Systemtic Name: 4-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholin-4-ium CAS Name: 4-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholin-4-ium Traditional Name: 4-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4OS/c1-18-14(11-19-7-9-20-10-8-19)16-17-15(18)21-12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1