N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-mesylphenyl)acetamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O3S2/c1-13-11-18(24(23-13)20-21-16-5-3-4-6-17(16)28-20)22-19(25)12-14-7-9-15(10-8-14)29(2,26)27/h3-11H,12H2,1-2H3,(H,22,25)