3-(4-chloranyl-5-methyl-4-phenylazanyl-1,3,5-triazin-2-yl)-4-(methylamino)naphthalene-2-sulfonic acid

Systemtic Name: 3-(4-chloranyl-5-methyl-4-phenylazanyl-1,3,5-triazin-2-yl)-4-(methylamino)naphthalene-2-sulfonic acid Openeye Name: 3-(4-anilino-4-chloro-5-methyl-1,3,5-triazin-2-yl)-4-(methylamino)naphthalene-2-sulfonic acid CAS Name: 3-(4-anilino-4-chloro-5-methyl-1,3,5-triazin-2-yl)-4-(methylamino)-2-naphthalenesulfonic acid IUPAC Name: 3-(4-anilino-4-chloro-5-methyl-1,3,5-triazin-2-yl)-4-(methylamino)naphthalene-2-sulfonic acid Traditional Name: 3-(4-anilino-4-chloro-5-methyl-s-triazin-2-yl)-4-(methylamino)naphthalene-2-sulfonic acid Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=CC2=CC=CC=C21)S(=O)(=O)O)C3=NC(N(C=N3)C)(NC4=CC=CC=C4)Cl

Isomeric SMILES

CNC1=C(C(=CC2=CC=CC=C21)S(=O)(=O)O)C3=NC(N(C=N3)C)(NC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O3S/c1-23-19-16-11-7-6-8-14(16)12-17(31(28,29)30)18(19)20-24-13-27(2)21(22,26-20)25-15-9-4-3-5-10-15/h3-13,23,25H,1-2H3,(H,28,29,30)