4-(4-chloranyl-3-methyl-phenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-6-ethyl-2-(p-tolylmethylsulfanyl)pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylthio]pyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-6-ethyl-2-[(4-methylbenzyl)thio]pyrimidine Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C)OC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C)OC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2OS/c1-4-17-12-20(25-18-9-10-19(22)15(3)11-18)24-21(23-17)26-13-16-7-5-14(2)6-8-16/h5-12H,4,13H2,1-3H3