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

Systemtic Name: [4-[(3-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [4-[(3-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [4-[(3-nitrophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [4-[(3-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [4-(3-nitrobenzyl)oxyphenyl]-pyrrolidino-methanethione Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c21-20(22)16-5-3-4-14(12-16)13-23-17-8-6-15(7-9-17)18(24)19-10-1-2-11-19/h3-9,12H,1-2,10-11,13H2