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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O2S/c1-12-3-6-17(13(2)9-12)27-11-25-8-7-16(24-25)19(26)23-20-22-15-5-4-14(21)10-18(15)28-20/h3-10H,11H2,1-2H3,(H,22,23,26)