1-[(2,4-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2,4-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2,4-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(2,4-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2,4-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2,4-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)C

InChI

InChI=1S/C21H20N4O2S/c1-13-5-7-18(15(3)10-13)27-12-25-9-8-17(24-25)20(26)23-21-22-16-6-4-14(2)11-19(16)28-21/h4-11H,12H2,1-3H3,(H,22,23,26)