1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H19ClN4O3S2/c1-12-19(13(2)26(25-12)11-14-6-4-5-7-16(14)22)20(27)24-21-23-17-9-8-15(31(3,28)29)10-18(17)30-21/h4-10H,11H2,1-3H3,(H,23,24,27)