5-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H18N4O3S2/c1-30(27,28)15-9-10-16-19(11-15)29-21(22-16)23-20(26)18-12-17(13-7-8-13)24-25(18)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,22,23,26)