2-(2-azanylethoxy)ethanol; 6-methyl-2-[4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(2-azanylethoxy)ethanol; 6-methyl-2-[4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(2-aminoethoxy)ethanol; 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(2-aminoethoxy)ethanol; 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(2-aminoethoxy)ethanol; 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(2-aminoethoxy)ethanol; 2-[4-[(3-keto-5-methyl-2-pyrazolin-4-yl)azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C22H26N6O6S2 MolecularWeight: 534.60844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)O.C(COCCO)N

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)O.C(COCCO)N

InChI

InChI=1S/C18H15N5O4S2.C4H11NO2/c1-9-3-8-13-15(16(9)29(25,26)27)28-18(19-13)11-4-6-12(7-5-11)21-22-14-10(2)20-23-17(14)24;5-1-3-7-4-2-6/h3-8,14H,1-2H3,(H,23,24)(H,25,26,27);6H,1-5H2