6-isoquinolin-5-ylsulfanyl-5-nitro-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-isoquinolin-5-ylsulfanyl-5-nitro-3H-1,3-benzoxazol-2-one Openeye Name: 6-(5-isoquinolylsulfanyl)-5-nitro-3H-1,3-benzoxazol-2-one CAS Name: 6-(5-isoquinolinylthio)-5-nitro-3H-1,3-benzoxazol-2-one IUPAC Name: 6-isoquinolin-5-ylsulfanyl-5-nitro-3H-1,3-benzoxazol-2-one Traditional Name: 6-(5-isoquinolylthio)-5-nitro-3H-1,3-benzoxazol-2-one Formula: C16H9N3O4S MolecularWeight: 339.32536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O4S/c20-16-18-11-6-12(19(21)22)15(7-13(11)23-16)24-14-3-1-2-9-8-17-5-4-10(9)14/h1-8H,(H,18,20)