N-(6-bromanyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-sulfonamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-sulfonamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-sulfonamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenyl-4-pyrazolesulfonamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-sulfonamide Formula: C18H15BrN4O2S2 MolecularWeight: 463.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C18H15BrN4O2S2/c1-11-17(12(2)23(21-11)14-6-4-3-5-7-14)27(24,25)22-18-20-15-9-8-13(19)10-16(15)26-18/h3-10H,1-2H3,(H,20,22)