(4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylthio]-5,6-dihydro-4H-pyrimidin-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[2-[(4-chlorobenzyl)thio]-5,6-dihydro-4H-pyrimidin-1-yl]methanone Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN=C2SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN=C2SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2OS/c1-22(2,3)18-9-7-17(8-10-18)20(26)25-14-4-13-24-21(25)27-15-16-5-11-19(23)12-6-16/h5-12H,4,13-15H2,1-3H3