sodium 4-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: sodium 4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: sodium 4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[[4-chloro-6-(N-methylanilino)-s-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylate Formula: C26H20Cl2N9NaO4S MolecularWeight: 648.45567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)N(C)C4=CC=CC=C4)S(=O)(=O)[O-])C5=CC=CC=C5Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)N(C)C4=CC=CC=C4)S(=O)(=O)[O-])C5=CC=CC=C5Cl.[Na+]

InChI

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