pyridin-3-yl 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate

Systemtic Name: pyridin-3-yl 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: 3-pyridyl 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonic acid 3-pyridyl ester Formula: C10H10ClN3O3S MolecularWeight: 287.7227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)OC2=CN=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)OC2=CN=CC=C2)Cl)C

InChI

InChI=1S/C10H10ClN3O3S/c1-7-9(10(11)14(2)13-7)18(15,16)17-8-4-3-5-12-6-8/h3-6H,1-2H3