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

Systemtic Name: [3,5-bis(bromanyl)-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3,5-dibromo-4-(4-nitrobenzyl)oxy-phenyl]-pyrrolidino-methanethione Formula: C18H16Br2N2O3S MolecularWeight: 500.20424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(C1)C(=S)C2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16Br2N2O3S/c19-15-9-13(18(26)21-7-1-2-8-21)10-16(20)17(15)25-11-12-3-5-14(6-4-12)22(23)24/h3-6,9-10H,1-2,7-8,11H2