phenyl 2-[[5-cyano-4-methyl-2,6-bis[(3-methylphenyl)amino]pyridin-3-yl]diazenyl]benzenesulfonate

Systemtic Name: phenyl 2-[[5-cyano-4-methyl-2,6-bis[(3-methylphenyl)amino]pyridin-3-yl]diazenyl]benzenesulfonate Openeye Name: phenyl 2-[[5-cyano-4-methyl-2,6-bis(3-methylanilino)-3-pyridyl]azo]benzenesulfonate CAS Name: 2-[[5-cyano-4-methyl-2,6-bis(3-methylanilino)-3-pyridinyl]azo]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-cyano-4-methyl-2,6-bis(3-methylanilino)pyridin-3-yl]diazenyl]benzenesulfonate Traditional Name: 2-[[5-cyano-4-methyl-2,6-bis(m-toluidino)-3-pyridyl]azo]benzenesulfonic acid phenyl ester Formula: C33H28N6O3S MolecularWeight: 588.67882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=C(C(=N2)NC3=CC=CC(=C3)C)C#N)C)N=NC4=CC=CC=C4S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=C(C(=N2)NC3=CC=CC(=C3)C)C#N)C)N=NC4=CC=CC=C4S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C33H28N6O3S/c1-22-11-9-13-25(19-22)35-32-28(21-34)24(3)31(33(37-32)36-26-14-10-12-23(2)20-26)39-38-29-17-7-8-18-30(29)43(40,41)42-27-15-5-4-6-16-27/h4-20H,1-3H3,(H2,35,36,37)