4-tert-butyl-N-[2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylphenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylphenyl]benzamide CAS Name: 4-tert-butyl-N-[2-[[5-(4-chlorophenyl)-2-pyrimidinyl]thio]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[5-(4-chlorophenyl)pyrimidin-2-yl]thio]phenyl]benzamide Formula: C27H24ClN3OS MolecularWeight: 474.01696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC=C(C=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC=C(C=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3OS/c1-27(2,3)21-12-8-19(9-13-21)25(32)31-23-6-4-5-7-24(23)33-26-29-16-20(17-30-26)18-10-14-22(28)15-11-18/h4-17H,1-3H3,(H,31,32)