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

Systemtic Name: 4-cyano-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-cyano-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-cyano-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-cyano-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-cyano-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C21H17N5OS/c1-12-8-13(2)19-17(9-12)28-21(24-19)26-18(10-14(3)25-26)23-20(27)16-6-4-15(11-22)5-7-16/h4-10H,1-3H3,(H,23,27)