[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]methanethiol

Systemtic Name: [1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]methanethiol Openeye Name: [1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]methanethiol CAS Name: [1-tert-butyl-3-(4-ethoxyphenyl)-4-pyrazolyl]methanethiol IUPAC Name: [1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]methanethiol Traditional Name: (1-tert-butyl-3-p-phenetyl-pyrazol-4-yl)methanethiol Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2CS)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2CS)C(C)(C)C

InChI

InChI=1S/C16H22N2OS/c1-5-19-14-8-6-12(7-9-14)15-13(11-20)10-18(17-15)16(2,3)4/h6-10,20H,5,11H2,1-4H3