8-nitro-5-(phenylmethylsulfanyl)isoquinoline

Systemtic Name: 8-nitro-5-(phenylmethylsulfanyl)isoquinoline Openeye Name: 5-benzylsulfanyl-8-nitro-isoquinoline CAS Name: 8-nitro-5-(phenylmethylthio)isoquinoline IUPAC Name: 5-benzylsulfanyl-8-nitroisoquinoline Traditional Name: 5-(benzylthio)-8-nitro-isoquinoline Formula: C16H12N2O2S MolecularWeight: 296.34368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

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