1-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitro-phenyl]piperidine

Systemtic Name: 1-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitro-phenyl]piperidine Openeye Name: 1-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitro-phenyl]piperidine CAS Name: 1-[3-[(1-methyl-2-imidazolyl)thio]-4-nitrophenyl]piperidine IUPAC Name: 1-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitrophenyl]piperidine Traditional Name: 1-[3-[(1-methylimidazol-2-yl)thio]-4-nitro-phenyl]piperidine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-17-10-7-16-15(17)22-14-11-12(5-6-13(14)19(20)21)18-8-3-2-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3