2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN4OS/c1-22(13-24,15-8-9-15)27-19(28)12-29-21-17-4-2-3-5-18(17)25-20(26-21)14-6-10-16(23)11-7-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,27,28)/t22-/m0/s1