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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2SC3=CC=CC=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2SC3=CC=CC=C3[N+](=O)[O-])N4C=CN=C4

InChI

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