(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,2-dimethyl-propane-1-thiol

Systemtic Name: (1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,2-dimethyl-propane-1-thiol Openeye Name: (1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,2-dimethyl-propane-1-thiol CAS Name: (1S)-1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2,2-dimethyl-1-propanethiol IUPAC Name: (1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,2-dimethylpropane-1-thiol Traditional Name: (1S)-1-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2,2-dimethyl-propane-1-thiol Formula: C17H22N2S2 MolecularWeight: 318.49998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)C(C(C)(C)C)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)[C@H](C(C)(C)C)S)C

InChI

InChI=1S/C17H22N2S2/c1-11-10-12(2)19-16(18-11)21-14-8-6-13(7-9-14)15(20)17(3,4)5/h6-10,15,20H,1-5H3/t15-/m1/s1