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

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-4-(3,4-dichlorobenzyl)oxy-5-ethoxy-phenyl]-pyrrolidino-methanethione Formula: C20H20BrCl2NO2S MolecularWeight: 489.2533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2NO2S/c1-2-25-18-11-14(20(27)24-7-3-4-8-24)10-15(21)19(18)26-12-13-5-6-16(22)17(23)9-13/h5-6,9-11H,2-4,7-8,12H2,1H3