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

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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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(=C(C(=C4)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-12-4-5-16-18(8-12)29-21(23-16)24-20(27)17-6-7-26(25-17)11-28-15-9-13(2)19(22)14(3)10-15/h4-10H,11H2,1-3H3,(H,23,24,27)