8-nitro-5-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-isoquinoline

Systemtic Name: 8-nitro-5-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-isoquinoline Openeye Name: 5-(1-benzylimidazol-2-yl)sulfanyl-8-nitro-isoquinoline CAS Name: 8-nitro-5-[[1-(phenylmethyl)-2-imidazolyl]thio]isoquinoline IUPAC Name: 5-(1-benzylimidazol-2-yl)sulfanyl-8-nitroisoquinoline Traditional Name: 5-[(1-benzylimidazol-2-yl)thio]-8-nitro-isoquinoline Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O2S/c24-23(25)17-6-7-18(15-8-9-20-12-16(15)17)26-19-21-10-11-22(19)13-14-4-2-1-3-5-14/h1-12H,13H2