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

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethiol CAS Name: [3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanethiol Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethiol Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2CS)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CS)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2OS/c1-20-16-9-5-6-13(10-16)17-14(12-21)11-19(18-17)15-7-3-2-4-8-15/h2-11,21H,12H2,1H3