(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one

Systemtic Name: (4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one Openeye Name: (4Z)-2-benzylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazol-5-one CAS Name: (4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(phenylmethylthio)-5-thiazolone IUPAC Name: (4Z)-2-benzylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one Traditional Name: (4Z)-2-(benzylthio)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thiazolin-5-one Formula: C18H12N2O5S2 MolecularWeight: 400.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)SC(=N3)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)SC(=N3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5S2/c21-17-13(19-18(27-17)26-9-11-4-2-1-3-5-11)6-12-7-15-16(25-10-24-15)8-14(12)20(22)23/h1-8H,9-10H2/b13-6-