2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methylbenzothiazole-7-sulphonic acid
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Product Description
Product
2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methylbenzothiazole-7-sulphonic acid
CAS
5855-99-2
Formula
C18H15N3O4S2
Typical Product Specifications
Molecular weight
401.46
EINECS
227-472-2
SMILES
c12c(S(=O)(=O)O)c(C)ccc2nc(s1)c1ccc(N2C(CC(=N2)C)=O)cc1
InChI
IHXSKOQMJPMEFP-UHFFFAOYSA-N
InChIKey
1S/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)
Class
2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methylbenzothiazole-7-sulphonic acid
Product Description
Product
2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methylbenzothiazole-7-sulphonic acid
CAS
5855-99-2
Formula
C18H15N3O4S2
Typical Product Specifications
Molecular weight
401.46
EINECS
227-472-2
SMILES
c12c(S(=O)(=O)O)c(C)ccc2nc(s1)c1ccc(N2C(CC(=N2)C)=O)cc1
InChI
IHXSKOQMJPMEFP-UHFFFAOYSA-N
InChIKey
1S/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)
Class
