[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]methanethiol

Systemtic Name: [1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]methanethiol Openeye Name: [3-(4-isopropylphenyl)-1-methyl-pyrazol-4-yl]methanethiol CAS Name: [1-methyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]methanethiol IUPAC Name: [1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]methanethiol Traditional Name: (1-methyl-3-p-cumenyl-pyrazol-4-yl)methanethiol Formula: C14H18N2S MolecularWeight: 246.37112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2S/c1-10(2)11-4-6-12(7-5-11)14-13(9-17)8-16(3)15-14/h4-8,10,17H,9H2,1-3H3