2-methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]propane-2-thiol

Systemtic Name: 2-methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]propane-2-thiol Openeye Name: 2-methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]propane-2-thiol CAS Name: 2-methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)-1-pyrrolyl]-2-propanethiol IUPAC Name: 2-methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]propane-2-thiol Traditional Name: 1-[2-(4-mesylphenyl)-5-methyl-pyrrol-1-yl]-2-methyl-propane-2-thiol Formula: C16H21NO2S2 MolecularWeight: 323.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC(C)(C)S)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(N1CC(C)(C)S)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H21NO2S2/c1-12-5-10-15(17(12)11-16(2,3)20)13-6-8-14(9-7-13)21(4,18)19/h5-10,20H,11H2,1-4H3