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

Systemtic Name: [3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-4-(4-nitrobenzyl)oxy-phenyl]-pyrrolidino-methanethione Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O3S/c19-16-11-14(18(25)20-9-1-2-10-20)5-8-17(16)24-12-13-3-6-15(7-4-13)21(22)23/h3-8,11H,1-2,9-10,12H2