4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]benzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C23H25N3OS/c1-15-14-16(2)25-22(24-15)28-20-12-10-19(11-13-20)26-21(27)17-6-8-18(9-7-17)23(3,4)5/h6-14H,1-5H3,(H,26,27)