4-[(3-bromanyl-4-methyl-phenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one Openeye Name: 4-(3-bromo-4-methyl-phenyl)azo-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-4H-pyrazol-3-one CAS Name: 4-(3-bromo-4-methylphenyl)azo-5-methyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-4H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-4-methylphenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one Traditional Name: 4-(3-bromo-4-methyl-phenyl)azo-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-2-pyrazolin-3-one Formula: C20H15BrN6O3S MolecularWeight: 499.3405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C)Br

InChI

InChI=1S/C20H15BrN6O3S/c1-11-6-7-14(9-16(11)21)23-24-18-12(2)25-26(19(18)28)20-22-17(10-31-20)13-4-3-5-15(8-13)27(29)30/h3-10,18H,1-2H3