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

Systemtic Name: 4-[[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-methyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-methyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-methyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4OS/c1-13-4-3-5-14(10-13)12-22-16-18-17-15(19(16)2)11-20-6-8-21-9-7-20/h3-5,10H,6-9,11-12H2,1-2H3/p+1