4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione

Systemtic Name: 4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione Openeye Name: 4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione CAS Name: 3-(2-mercaptophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione IUPAC Name: 4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione Traditional Name: 3-(2-mercaptophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione Formula: C13H16N2S2 MolecularWeight: 264.40954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC=CC=C2S)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC=CC=C2S)(C)C

InChI

InChI=1S/C13H16N2S2/c1-9-8-13(2,3)14-12(17)15(9)10-6-4-5-7-11(10)16/h4-8,16H,1-3H3,(H,14,17)