2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]sulfanylpyrimidine

Systemtic Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]sulfanylpyrimidine Openeye Name: 2-[3,5-dimethyl-1-(p-tolylsulfonyl)pyrazol-4-yl]sulfanylpyrimidine CAS Name: 2-[[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-pyrazolyl]thio]pyrimidine IUPAC Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]sulfanylpyrimidine Traditional Name: 2-[(3,5-dimethyl-1-tosyl-pyrazol-4-yl)thio]pyrimidine Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)SC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)SC3=NC=CC=N3)C

InChI

InChI=1S/C16H16N4O2S2/c1-11-5-7-14(8-6-11)24(21,22)20-13(3)15(12(2)19-20)23-16-17-9-4-10-18-16/h4-10H,1-3H3