4-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-thiazole

Systemtic Name: 4-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-thiazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(p-tolyl)thiazole CAS Name: 4-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thiazole IUPAC Name: 4-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-thiazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(p-tolyl)thiazole Formula: C19H16N2O4S2 MolecularWeight: 400.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H16N2O4S2/c1-12-2-4-13(5-3-12)17-10-27-19(20-17)26-9-15-7-16(21(22)23)6-14-8-24-11-25-18(14)15/h2-7,10H,8-9,11H2,1H3