(2-chloranyl-5-nitro-phenyl)-piperidin-1-yl-methanethione

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-piperidin-1-yl-methanethione Openeye Name: (2-chloro-5-nitro-phenyl)-(1-piperidyl)methanethione CAS Name: (2-chloro-5-nitrophenyl)-(1-piperidinyl)methanethione IUPAC Name: (2-chloro-5-nitrophenyl)-piperidin-1-ylmethanethione Traditional Name: (2-chloro-5-nitro-phenyl)-piperidino-methanethione Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O2S/c13-11-5-4-9(15(16)17)8-10(11)12(18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2