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

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-ethylsulfonyl-benzamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-ethylsulfonyl-benzamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-ethylsulfonylbenzamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-ethylsulfonylbenzamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-esyl-benzamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

InChI

InChI=1S/C22H22N4O3S2/c1-5-31(28,29)17-8-6-7-16(12-17)21(27)23-19-11-15(4)25-26(19)22-24-20-14(3)9-13(2)10-18(20)30-22/h6-12H,5H2,1-4H3,(H,23,27)