2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]-N-(2,3-dimethylphenyl)acetamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3OS/c1-13-4-3-5-17(14(13)2)23-19(25)12-26-20-22-11-10-18(24-20)15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,23,25)