5-imidazol-1-yl-1-(2-nitrophenyl)sulfanyl-isoquinoline

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=NC=CC3=C2C=CC=C3N4C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=NC=CC3=C2C=CC=C3N4C=CN=C4

InChI

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