N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C25H21N5OS/c1-16-11-17(2)22-21(12-16)32-25(27-22)28-24(31)20-15-30(14-18-7-4-3-5-8-18)29-23(20)19-9-6-10-26-13-19/h3-13,15H,14H2,1-2H3,(H,27,28,31)