2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3OS/c21-17-8-6-16(7-9-17)18-11-13-23-20(24-18)26-14-19(25)22-12-10-15-4-2-1-3-5-15/h1-9,11,13H,10,12,14H2,(H,22,25)