2-[(2-chlorophenyl)methylsulfanyl]-4,4,6-trimethyl-1-(4-methylphenyl)pyrimidine

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,4,6-trimethyl-1-(4-methylphenyl)pyrimidine Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,4,6-trimethyl-1-(p-tolyl)pyrimidine CAS Name: 2-[(2-chlorophenyl)methylthio]-4,4,6-trimethyl-1-(4-methylphenyl)pyrimidine IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,4,6-trimethyl-1-(4-methylphenyl)pyrimidine Traditional Name: 2-[(2-chlorobenzyl)thio]-4,4,6-trimethyl-1-(p-tolyl)pyrimidine Formula: C21H23ClN2S MolecularWeight: 370.93872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(N=C2SCC3=CC=CC=C3Cl)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(N=C2SCC3=CC=CC=C3Cl)(C)C)C

InChI

InChI=1S/C21H23ClN2S/c1-15-9-11-18(12-10-15)24-16(2)13-21(3,4)23-20(24)25-14-17-7-5-6-8-19(17)22/h5-13H,14H2,1-4H3