5-(1-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfanylisoquinoline

Systemtic Name: 5-(1-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfanylisoquinoline Openeye Name: 5-(1-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfanylisoquinoline CAS Name: 5-[(1-ethyl-2-methyl-6-nitro-5-benzimidazolyl)thio]isoquinoline IUPAC Name: 5-(1-ethyl-2-methyl-6-nitrobenzimidazol-5-yl)sulfanylisoquinoline Traditional Name: 5-[(1-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)thio]isoquinoline Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CC(=C(C=C21)[N+](=O)[O-])SC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CCN1C(=NC2=CC(=C(C=C21)[N+](=O)[O-])SC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C19H16N4O2S/c1-3-22-12(2)21-15-9-19(17(23(24)25)10-16(15)22)26-18-6-4-5-13-11-20-8-7-14(13)18/h4-11H,3H2,1-2H3