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

Systemtic Name: [3-(4-ethoxyphenyl)-1-methyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(4-ethoxyphenyl)-1-methyl-pyrazol-4-yl]methanethiol CAS Name: [3-(4-ethoxyphenyl)-1-methyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]methanethiol Traditional Name: (1-methyl-3-p-phenetyl-pyrazol-4-yl)methanethiol Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2CS)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2CS)C

InChI

InChI=1S/C13H16N2OS/c1-3-16-12-6-4-10(5-7-12)13-11(9-17)8-15(2)14-13/h4-8,17H,3,9H2,1-2H3