N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piazthiole-4-sulfonamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H17N5O2S2/c1-12-15(13(2)23(20-12)14-7-4-3-5-8-14)11-19-27(24,25)17-10-6-9-16-18(17)22-26-21-16/h3-10,19H,11H2,1-2H3