2-[[1-(2-chloranyl-6-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Systemtic Name: 2-[[1-(2-chloranyl-6-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[1-(2-chloro-6-methyl-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[(4-anilino-6-chloro-s-triazin-2-yl)amino]-2-[[1-(2-chloro-6-methyl-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylic acid Formula: C26H21Cl2N9O4S MolecularWeight: 626.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)Cl)S(=O)(=O)O

InChI

InChI=1S/C26H21Cl2N9O4S/c1-14-7-6-10-18(27)22(14)37-23(38)21(15(2)36-37)35-34-19-13-17(11-12-20(19)42(39,40)41)30-26-32-24(28)31-25(33-26)29-16-8-4-3-5-9-16/h3-13,21H,1-2H3,(H,39,40,41)(H2,29,30,31,32,33)