2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-N-mesityl-propionamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H22BrN3OS/c1-13-11-14(2)19(15(3)12-13)24-20(26)16(4)27-21-23-9-10-25(21)18-7-5-17(22)6-8-18/h5-12,16H,1-4H3,(H,24,26)