[5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione

Systemtic Name: [5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [5-bromo-2-(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=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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