5-(4-imidazol-1-yl-2-nitro-phenyl)sulfanylisoquinoline

Systemtic Name: 5-(4-imidazol-1-yl-2-nitro-phenyl)sulfanylisoquinoline Openeye Name: 5-(4-imidazol-1-yl-2-nitro-phenyl)sulfanylisoquinoline CAS Name: 5-[[4-(1-imidazolyl)-2-nitrophenyl]thio]isoquinoline IUPAC Name: 5-(4-imidazol-1-yl-2-nitrophenyl)sulfanylisoquinoline Traditional Name: 5-[(4-imidazol-1-yl-2-nitro-phenyl)thio]isoquinoline Formula: C18H12N4O2S MolecularWeight: 348.37848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O2S/c23-22(24)16-10-14(21-9-8-20-12-21)4-5-18(16)25-17-3-1-2-13-11-19-7-6-15(13)17/h1-12H