5-methyl-3-[(1,2,3,3,6-pentamethyl-2H-indol-5-yl)diazenyl]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-[(1,2,3,3,6-pentamethyl-2H-indol-5-yl)diazenyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-methyl-3-(1,2,3,3,6-pentamethylindolin-5-yl)azo-isothiazole-4-carboxylic acid CAS Name: 5-methyl-3-[(1,2,3,3,6-pentamethyl-2H-indol-5-yl)azo]-4-isothiazolecarboxylic acid IUPAC Name: 5-methyl-3-[(1,2,3,3,6-pentamethyl-2H-indol-5-yl)diazenyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-methyl-3-(1,2,3,3,6-pentamethylindolin-5-yl)azo-isothiazole-4-carboxylic acid Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC(=C(C=C2N1C)C)N=NC3=NSC(=C3C(=O)O)C)(C)C

Isomeric SMILES

CC1C(C2=CC(=C(C=C2N1C)C)N=NC3=NSC(=C3C(=O)O)C)(C)C

InChI

InChI=1S/C18H22N4O2S/c1-9-7-14-12(18(4,5)11(3)22(14)6)8-13(9)19-20-16-15(17(23)24)10(2)25-21-16/h7-8,11H,1-6H3,(H,23,24)