5-isoquinolin-5-ylsulfanyl-6-nitro-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-isoquinolin-5-ylsulfanyl-6-nitro-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-(5-isoquinolylsulfanyl)-6-nitro-1,3-dihydrobenzimidazol-2-one CAS Name: 5-(5-isoquinolinylthio)-6-nitro-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-isoquinolin-5-ylsulfanyl-6-nitro-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-(5-isoquinolylthio)-6-nitro-1,3-dihydrobenzimidazol-2-one Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O3S/c21-16-18-11-6-13(20(22)23)15(7-12(11)19-16)24-14-3-1-2-9-8-17-5-4-10(9)14/h1-8H,(H2,18,19,21)