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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-pyrrolidino-methanethione Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN2O4S/c1-25-17-11-14(19(27)21-7-2-3-8-21)10-16(20)18(17)26-12-13-5-4-6-15(9-13)22(23)24/h4-6,9-11H,2-3,7-8,12H2,1H3