[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione

Systemtic Name: [3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-4-(2-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=C3Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21BrClNO2S/c1-2-24-18-12-15(20(26)23-9-5-6-10-23)11-16(21)19(18)25-13-14-7-3-4-8-17(14)22/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3