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

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one Openeye Name: 4-(3-bromo-4-methyl-phenyl)azo-2-[4-(4-methoxyphenyl)thiazol-2-yl]-5-methyl-4H-pyrazol-3-one CAS Name: 4-(3-bromo-4-methylphenyl)azo-2-[4-(4-methoxyphenyl)-2-thiazolyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-4-methylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one Traditional Name: 4-(3-bromo-4-methyl-phenyl)azo-2-[4-(4-methoxyphenyl)thiazol-2-yl]-5-methyl-2-pyrazolin-3-one Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)OC)C)Br

InChI

InChI=1S/C21H18BrN5O2S/c1-12-4-7-15(10-17(12)22)24-25-19-13(2)26-27(20(19)28)21-23-18(11-30-21)14-5-8-16(29-3)9-6-14/h4-11,19H,1-3H3