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

Systemtic Name: 2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(1H-pyrazol-5-yl)thiazole-4-carboxamide CAS Name: 2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-(1H-pyrazol-5-yl)-4-thiazolecarboxamide IUPAC Name: 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(1H-pyrazol-5-yl)thiazole-4-carboxamide Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=NN4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=NN4

InChI

InChI=1S/C21H22N6O2S2/c1-2-12-30-20-15(4-3-8-22-20)21(29)27-10-6-14(7-11-27)19-24-16(13-31-19)18(28)25-17-5-9-23-26-17/h2-5,8-9,13-14H,1,6-7,10-12H2,(H2,23,25,26,28)