3-(1H-imidazol-2-ylsulfanyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(1H-imidazol-2-ylsulfanyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(1H-imidazol-2-ylsulfanyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(1H-imidazol-2-ylthio)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(1H-imidazol-2-ylsulfanyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(1H-imidazol-2-ylthio)-1,2-naphthoquinone Formula: C13H8N2O3S MolecularWeight: 272.27922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)SC3=NC=CN3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)SC3=NC=CN3)O

InChI

InChI=1S/C13H8N2O3S/c16-9-7-3-1-2-4-8(7)10(17)12(11(9)18)19-13-14-5-6-15-13/h1-6,17H,(H,14,15)