ethyl 5-[4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-[2-(methylthio)nicotinoyl]piperazino]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H28N6O3S MolecularWeight: 528.62532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=C(N=CC=C4)SC)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=C(N=CC=C4)SC)C5=CC=CC=N5

InChI

InChI=1S/C28H28N6O3S/c1-3-37-28(36)23-19-24(34(31-23)25-8-4-5-13-29-25)20-9-11-21(12-10-20)32-15-17-33(18-16-32)27(35)22-7-6-14-30-26(22)38-2/h4-14,19H,3,15-18H2,1-2H3