5-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole

Systemtic Name: 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole Openeye Name: 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole CAS Name: 5-methyl-3-[[4-(methylthio)phenyl]methyl]-1H-pyrazole IUPAC Name: 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole Traditional Name: 5-methyl-3-[4-(methylthio)benzyl]-1H-pyrazole Formula: C12H14N2S MolecularWeight: 218.31796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=NN1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C12H14N2S/c1-9-7-11(14-13-9)8-10-3-5-12(15-2)6-4-10/h3-7H,8H2,1-2H3,(H,13,14)