[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methanethiol

Systemtic Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methanethiol CAS Name: [3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanethiol Traditional Name: [3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methanethiol Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2CS)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2CS)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2S/c1-13-8-9-17(14(2)10-13)18-15(12-21)11-20(19-18)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3