3-[[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 3-[[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 3-[[3-methyl-5-oxo-1-[4-(p-tolyl)thiazol-2-yl]-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 3-[[3-methyl-1-[4-(4-methylphenyl)-2-thiazolyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 3-[[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 3-[[5-keto-3-methyl-1-[4-(p-tolyl)thiazol-2-yl]-2-pyrazolin-4-yl]azo]benzoic acid Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H17N5O3S/c1-12-6-8-14(9-7-12)17-11-30-21(22-17)26-19(27)18(13(2)25-26)24-23-16-5-3-4-15(10-16)20(28)29/h3-11,18H,1-2H3,(H,28,29)