6-nitro-5-(phenylmethylsulfanyl)quinoline

Systemtic Name: 6-nitro-5-(phenylmethylsulfanyl)quinoline Openeye Name: 5-benzylsulfanyl-6-nitro-quinoline CAS Name: 6-nitro-5-(phenylmethylthio)quinoline IUPAC Name: 5-benzylsulfanyl-6-nitroquinoline Traditional Name: 5-(benzylthio)-6-nitro-quinoline Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC3=C2C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC3=C2C=CC=N3)[N+](=O)[O-]

InChI

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