8-nitro-4-(phenylmethylsulfanyl)quinoline

Systemtic Name: 8-nitro-4-(phenylmethylsulfanyl)quinoline Openeye Name: 4-benzylsulfanyl-8-nitro-quinoline CAS Name: 8-nitro-4-(phenylmethylthio)quinoline IUPAC Name: 4-benzylsulfanyl-8-nitroquinoline Traditional Name: 4-(benzylthio)-8-nitro-quinoline Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C3C=CC=C(C3=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C3C=CC=C(C3=NC=C2)[N+](=O)[O-]

InChI

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