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

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

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

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