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

Systemtic Name: 3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C)Cl

InChI

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