[3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methanethiol

Systemtic Name: [3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methanethiol CAS Name: [3-(3,4-dimethylphenyl)-1-methyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]methanethiol Traditional Name: [3-(3,4-dimethylphenyl)-1-methyl-pyrazol-4-yl]methanethiol Formula: C13H16N2S MolecularWeight: 232.34454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CS)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CS)C)C

InChI

InChI=1S/C13H16N2S/c1-9-4-5-11(6-10(9)2)13-12(8-16)7-15(3)14-13/h4-7,16H,8H2,1-3H3