[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methanethiol

Systemtic Name: [3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methanethiol Openeye Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]methanethiol CAS Name: [3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanethiol Traditional Name: [1-phenyl-3-(p-tolyl)pyrazol-4-yl]methanethiol Formula: C17H16N2S MolecularWeight: 280.38734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2S/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-11,20H,12H2,1H3