N-(2-methyl-5-phenyl-pyrazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-methyl-5-phenyl-pyrazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(2-methyl-5-phenyl-pyrazol-3-yl)thiazole-4-carboxamide CAS Name: N-(2-methyl-5-phenyl-3-pyrazolyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-methyl-5-phenylpyrazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(2-methyl-5-phenyl-pyrazol-3-yl)thiazole-4-carboxamide Formula: C28H28N6O2S2 MolecularWeight: 544.69092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C28H28N6O2S2/c1-3-16-37-27-21(10-7-13-29-27)28(36)34-14-11-20(12-15-34)26-30-23(18-38-26)25(35)31-24-17-22(32-33(24)2)19-8-5-4-6-9-19/h3-10,13,17-18,20H,1,11-12,14-16H2,2H3,(H,31,35)