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

Systemtic Name: [3-bromanyl-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-4-(3-chlorobenzyl)oxy-5-ethoxy-phenyl]-pyrrolidino-methanethione Formula: C20H21BrClNO2S MolecularWeight: 454.80824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClNO2S/c1-2-24-18-12-15(20(26)23-8-3-4-9-23)11-17(21)19(18)25-13-14-6-5-7-16(22)10-14/h5-7,10-12H,2-4,8-9,13H2,1H3