3-(4-phenylpyrazol-1-yl)propane-1-thiol

Systemtic Name: 3-(4-phenylpyrazol-1-yl)propane-1-thiol Openeye Name: 3-(4-phenylpyrazol-1-yl)propane-1-thiol CAS Name: 3-(4-phenyl-1-pyrazolyl)-1-propanethiol IUPAC Name: 3-(4-phenylpyrazol-1-yl)propane-1-thiol Traditional Name: 3-(4-phenylpyrazol-1-yl)propane-1-thiol Formula: C12H14N2S MolecularWeight: 218.31796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(N=C2)CCCS

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(N=C2)CCCS

InChI

InChI=1S/C12H14N2S/c15-8-4-7-14-10-12(9-13-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2