8-nitro-7-(phenylmethylsulfanyl)isoquinoline

Systemtic Name: 8-nitro-7-(phenylmethylsulfanyl)isoquinoline Openeye Name: 7-benzylsulfanyl-8-nitro-isoquinoline CAS Name: 8-nitro-7-(phenylmethylthio)isoquinoline IUPAC Name: 7-benzylsulfanyl-8-nitroisoquinoline Traditional Name: 7-(benzylthio)-8-nitro-isoquinoline Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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