N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-methylsulfonyl-benzamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-mesyl-benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H20N4O3S2/c1-12-8-13(2)19-17(9-12)29-21(23-19)25-18(10-14(3)24-25)22-20(26)15-6-5-7-16(11-15)30(4,27)28/h5-11H,1-4H3,(H,22,26)