[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-phenyl]-pyrrolidino-methanethione Formula: C21H24BrNO2S MolecularWeight: 434.38976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24BrNO2S/c1-3-24-19-13-17(21(26)23-10-4-5-11-23)12-18(22)20(19)25-14-16-8-6-15(2)7-9-16/h6-9,12-13H,3-5,10-11,14H2,1-2H3