2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[2-(4-methoxyphenyl)pyrrolidino]ethanone Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22BrNO2S/c1-14-12-16(21)7-10-19(14)25-13-20(23)22-11-3-4-18(22)15-5-8-17(24-2)9-6-15/h5-10,12,18H,3-4,11,13H2,1-2H3