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

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-benzoyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-benzoyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-benzoyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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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(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H22N4O2S/c1-16-13-17(2)24-22(14-16)34-27(29-24)31-23(15-18(3)30-31)28-26(33)21-11-9-20(10-12-21)25(32)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,28,33)