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

Systemtic Name: [3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]methanethiol CAS Name: [3-(3-methoxyphenyl)-1-methyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methanethiol Traditional Name: [3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]methanethiol Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)OC)CS

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)OC)CS

InChI

InChI=1S/C12H14N2OS/c1-14-7-10(8-16)12(13-14)9-4-3-5-11(6-9)15-2/h3-7,16H,8H2,1-2H3