[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(methylthio)benzyl]ammonium Formula: C20H24N3S+ MolecularWeight: 338.48966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC(=CC=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C20H23N3S/c1-14-7-8-17(9-15(14)2)20-18(13-22-23-20)12-21-11-16-5-4-6-19(10-16)24-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/p+1