5-[(4-chlorophenyl)methylsulfanyl]-8-nitro-isoquinoline

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanyl]-8-nitro-isoquinoline Openeye Name: 5-[(4-chlorophenyl)methylsulfanyl]-8-nitro-isoquinoline CAS Name: 5-[(4-chlorophenyl)methylthio]-8-nitroisoquinoline IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-8-nitroisoquinoline Traditional Name: 5-[(4-chlorobenzyl)thio]-8-nitro-isoquinoline Formula: C16H11ClN2O2S MolecularWeight: 330.78874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O2S/c17-12-3-1-11(2-4-12)10-22-16-6-5-15(19(20)21)14-9-18-8-7-13(14)16/h1-9H,10H2