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

Systemtic Name: 4-[[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[3-methyl-5-oxo-1-[4-(p-tolyl)thiazol-2-yl]-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-[[3-methyl-1-[4-(4-methylphenyl)-2-thiazolyl]-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-[[3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[5-keto-3-methyl-1-[4-(p-tolyl)thiazol-2-yl]-2-pyrazolin-4-yl]azo]besylic acid Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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=C(C=C4)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4S2/c1-12-3-5-14(6-4-12)17-11-30-20(21-17)25-19(26)18(13(2)24-25)23-22-15-7-9-16(10-8-15)31(27,28)29/h3-11,18H,1-2H3,(H,27,28,29)