1-[(3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-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=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC(=CC(=C4)C)C

InChI

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