4-[(E)-2-(4-bromophenyl)ethenyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-pyrimidine

Systemtic Name: 4-[(E)-2-(4-bromophenyl)ethenyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-pyrimidine Openeye Name: 4-[(E)-2-(4-bromophenyl)vinyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-pyrimidine CAS Name: 4-[(E)-2-(4-bromophenyl)ethenyl]-2-[(2,4-dimethylphenyl)methylthio]-6-methylpyrimidine IUPAC Name: 4-[(E)-2-(4-bromophenyl)ethenyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methylpyrimidine Traditional Name: 4-[(E)-2-(4-bromophenyl)vinyl]-2-[(2,4-dimethylbenzyl)thio]-6-methyl-pyrimidine Formula: C22H21BrN2S MolecularWeight: 425.38454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=CC(=N2)C)C=CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=CC(=N2)C)/C=C/C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H21BrN2S/c1-15-4-8-19(16(2)12-15)14-26-22-24-17(3)13-21(25-22)11-7-18-5-9-20(23)10-6-18/h4-13H,14H2,1-3H3/b11-7+