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

Systemtic Name: 1-(5-methyl-1-phenyl-pyrazol-4-yl)-N-[(3-methylsulfanylphenyl)methyl]ethanamine Openeye Name: 1-(5-methyl-1-phenyl-pyrazol-4-yl)-N-[(3-methylsulfanylphenyl)methyl]ethanamine CAS Name: 1-(5-methyl-1-phenyl-4-pyrazolyl)-N-[[3-(methylthio)phenyl]methyl]ethanamine IUPAC Name: 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(3-methylsulfanylphenyl)methyl]ethanamine Traditional Name: 1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl-[3-(methylthio)benzyl]amine Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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