2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(2-pyrrolidino-4-pyridyl)methyl]acetamide Formula: C20H24BrN3OS MolecularWeight: 434.39306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC(=NC=C2)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC(=NC=C2)N3CCCC3

InChI

InChI=1S/C20H24BrN3OS/c1-14-10-18(15(2)9-17(14)21)26-13-20(25)23-12-16-5-6-22-19(11-16)24-7-3-4-8-24/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,23,25)