6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5,8-bis(oxidanyl)-1,4-dihydro-3,1-benzoxazine-2-thione

Systemtic Name: 6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-5,8-bis(oxidanyl)-1,4-dihydro-3,1-benzoxazine-2-thione Openeye Name: 5,8-dihydroxy-6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,4-dihydro-3,1-benzoxazine-2-thione CAS Name: 5,8-dihydroxy-6-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1,4-dihydro-3,1-benzoxazine-2-thione IUPAC Name: 5,8-dihydroxy-6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,4-dihydro-3,1-benzoxazine-2-thione Traditional Name: 5,8-dihydroxy-6-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1,4-dihydro-3,1-benzoxazine-2-thione Formula: C15H9N3O5S3 MolecularWeight: 407.44406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2O)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])O)NC(=S)O1

Isomeric SMILES

C1C2=C(C(=CC(=C2O)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])O)NC(=S)O1

InChI

InChI=1S/C15H9N3O5S3/c19-9-4-11(13(20)7-5-23-14(24)17-12(7)9)26-15-16-8-2-1-6(18(21)22)3-10(8)25-15/h1-4,19-20H,5H2,(H,17,24)