8-[(3-nitrophenyl)methylsulfanyl]quinoline

Systemtic Name: 8-[(3-nitrophenyl)methylsulfanyl]quinoline Openeye Name: 8-[(3-nitrophenyl)methylsulfanyl]quinoline CAS Name: 8-[(3-nitrophenyl)methylthio]quinoline IUPAC Name: 8-[(3-nitrophenyl)methylsulfanyl]quinoline Traditional Name: 8-[(3-nitrobenzyl)thio]quinoline Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H12N2O2S/c19-18(20)14-7-1-4-12(10-14)11-21-15-8-2-5-13-6-3-9-17-16(13)15/h1-10H,11H2