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

Systemtic Name: ethyl 1-(2-methylphenyl)-5-[4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-(o-tolyl)pyrazole-3-carboxylate CAS Name: 1-(2-methylphenyl)-5-[4-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-5-[4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]phenyl]pyrazole-3-carboxylate Traditional Name: 5-[4-[4-[2-(methylthio)nicotinoyl]piperazino]phenyl]-1-(o-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C30H31N5O3S MolecularWeight: 541.66384

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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=C5C

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=C5C

InChI

InChI=1S/C30H31N5O3S/c1-4-38-30(37)25-20-27(35(32-25)26-10-6-5-8-21(26)2)22-11-13-23(14-12-22)33-16-18-34(19-17-33)29(36)24-9-7-15-31-28(24)39-3/h5-15,20H,4,16-19H2,1-3H3