2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-benzenethiol

Systemtic Name: 2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-benzenethiol Openeye Name: 2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-benzenethiol CAS Name: 2-[bis(1-pyrazolyl)methyl]-6-tert-butyl-4-methylbenzenethiol IUPAC Name: 2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methylbenzenethiol Traditional Name: 2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methyl-benzenethiol Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)S)C(N2C=CC=N2)N3C=CC=N3

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)S)C(N2C=CC=N2)N3C=CC=N3

InChI

InChI=1S/C18H22N4S/c1-13-11-14(16(23)15(12-13)18(2,3)4)17(21-9-5-7-19-21)22-10-6-8-20-22/h5-12,17,23H,1-4H3