5-(2-chloroethylsulfanyl)-8-nitro-isoquinoline

Systemtic Name: 5-(2-chloroethylsulfanyl)-8-nitro-isoquinoline Openeye Name: 5-(2-chloroethylsulfanyl)-8-nitro-isoquinoline CAS Name: 5-(2-chloroethylthio)-8-nitroisoquinoline IUPAC Name: 5-(2-chloroethylsulfanyl)-8-nitroisoquinoline Traditional Name: 5-(2-chloroethylthio)-8-nitro-isoquinoline Formula: C11H9ClN2O2S MolecularWeight: 268.71936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])SCCCl

Isomeric SMILES

C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])SCCCl

InChI

InChI=1S/C11H9ClN2O2S/c12-4-6-17-11-2-1-10(14(15)16)9-7-13-5-3-8(9)11/h1-3,5,7H,4,6H2