4-(4-tert-butylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-2-phenyl-pyrimidine

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-2-phenyl-pyrimidine Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-2-phenyl-5-(p-tolylsulfonyl)pyrimidine CAS Name: 4-[(4-tert-butylphenyl)thio]-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine Traditional Name: 4-[(4-tert-butylphenyl)thio]-2-phenyl-5-tosyl-pyrimidine Formula: C27H26N2O2S2 MolecularWeight: 474.63754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2SC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2SC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S2/c1-19-10-16-23(17-11-19)33(30,31)24-18-28-25(20-8-6-5-7-9-20)29-26(24)32-22-14-12-21(13-15-22)27(2,3)4/h5-18H,1-4H3