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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[(2-pyrrolidino-4-pyridyl)methyl]acetamide Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC(=NC=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC(=NC=C2)N3CCCC3

InChI

InChI=1S/C19H22BrN3OS/c1-14-10-16(20)4-5-17(14)25-13-19(24)22-12-15-6-7-21-18(11-15)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,24)