2-(2-bromophenyl)sulfanyl-N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-(2-bromophenyl)sulfanyl-N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-(2-bromophenyl)sulfanyl-N-[3-cyano-4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-yl]acetamide CAS Name: 2-[(2-bromophenyl)thio]-N-[3-cyano-4,5-dimethyl-1-(2-oxolanylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(2-bromophenyl)sulfanyl-N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]acetamide Traditional Name: 2-[(2-bromophenyl)thio]-N-[3-cyano-4,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-2-yl]acetamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=C2Br)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC=CC=C2Br)CC3CCCO3)C

InChI

InChI=1S/C20H22BrN3O2S/c1-13-14(2)24(11-15-6-5-9-26-15)20(16(13)10-22)23-19(25)12-27-18-8-4-3-7-17(18)21/h3-4,7-8,15H,5-6,9,11-12H2,1-2H3,(H,23,25)