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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CS)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CS)C

InChI

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