N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide Openeye Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide CAS Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1,3,4-thiadiazol-2-ylthio)acetamide IUPAC Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide Traditional Name: N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)-2-(1,3,4-thiadiazol-2-ylthio)acetamide Formula: C12H9N5O5S2 MolecularWeight: 367.36036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CSC3=NN=CS3

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CSC3=NN=CS3

InChI

InChI=1S/C12H9N5O5S2/c18-10-3-22-9-2-8(17(20)21)6(1-7(9)15-10)14-11(19)4-23-12-16-13-5-24-12/h1-2,5H,3-4H2,(H,14,19)(H,15,18)