3-(4-bromanyl-3-methyl-phenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one Openeye Name: 3-(4-bromo-3-methyl-phenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)thiazolidin-4-one CAS Name: 3-(4-bromo-3-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-4-thiazolidinone IUPAC Name: 3-(4-bromo-3-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one Traditional Name: 3-(4-bromo-3-methyl-phenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)thiazolidin-4-one Formula: C17H13BrN2O5S MolecularWeight: 437.26452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(SCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(SCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)Br

InChI

InChI=1S/C17H13BrN2O5S/c1-9-4-10(2-3-12(9)18)19-16(21)7-26-17(19)11-5-14-15(25-8-24-14)6-13(11)20(22)23/h2-6,17H,7-8H2,1H3