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

Systemtic Name: (4S)-4-[(3-bromanyl-4-methyl-phenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one Openeye Name: (4S)-4-(3-bromo-4-methyl-phenyl)azo-5-methyl-2-(4-phenylthiazol-2-yl)-4H-pyrazol-3-one CAS Name: (4S)-4-(3-bromo-4-methylphenyl)azo-5-methyl-2-(4-phenyl-2-thiazolyl)-4H-pyrazol-3-one IUPAC Name: (4S)-4-[(3-bromo-4-methylphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one Traditional Name: (4S)-4-(3-bromo-4-methyl-phenyl)azo-5-methyl-2-(4-phenylthiazol-2-yl)-2-pyrazolin-3-one Formula: C20H16BrN5OS MolecularWeight: 454.34294

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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=CC=C4)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=N[C@H]2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C20H16BrN5OS/c1-12-8-9-15(10-16(12)21)23-24-18-13(2)25-26(19(18)27)20-22-17(11-28-20)14-6-4-3-5-7-14/h3-11,18H,1-2H3/t18-/m0/s1