4-methyl-2-[(4-methylphenyl)sulfanylmethyl]-6-(3-phenylpyrazol-1-yl)pyrimidine

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfanylmethyl]-6-(3-phenylpyrazol-1-yl)pyrimidine Openeye Name: 4-methyl-6-(3-phenylpyrazol-1-yl)-2-(p-tolylsulfanylmethyl)pyrimidine CAS Name: 4-methyl-2-[[(4-methylphenyl)thio]methyl]-6-(3-phenyl-1-pyrazolyl)pyrimidine IUPAC Name: 4-methyl-2-[(4-methylphenyl)sulfanylmethyl]-6-(3-phenylpyrazol-1-yl)pyrimidine Traditional Name: 4-methyl-6-(3-phenylpyrazol-1-yl)-2-[(p-tolylthio)methyl]pyrimidine Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC(=CC(=N2)N3C=CC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC(=CC(=N2)N3C=CC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4S/c1-16-8-10-19(11-9-16)27-15-21-23-17(2)14-22(24-21)26-13-12-20(25-26)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3