(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine

Systemtic Name: (1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine Openeye Name: (1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine CAS Name: (1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]-N-[[3-(methylthio)phenyl]methyl]ethanamine IUPAC Name: (1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine Traditional Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]-[3-(methylthio)benzyl]amine Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NCC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)NCC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H25N3OS/c1-15(22-13-17-6-5-7-20(12-17)26-4)21-14-23-24(16(21)2)18-8-10-19(25-3)11-9-18/h5-12,14-15,22H,13H2,1-4H3/t15-/m0/s1