S-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl] 4-methylpiperazine-1-carbothioate

Systemtic Name: S-[1-(6-methoxypyridin-3-yl)-5-phenyl-pyrazol-3-yl] 4-methylpiperazine-1-carbothioate Openeye Name: S-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[1-(6-methoxy-3-pyridinyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: S-[1-(6-methoxypyridin-3-yl)-5-phenylpyrazol-3-yl] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[1-(6-methoxy-3-pyridyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SC2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)SC2=NN(C(=C2)C3=CC=CC=C3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C21H23N5O2S/c1-24-10-12-25(13-11-24)21(27)29-20-14-18(16-6-4-3-5-7-16)26(23-20)17-8-9-19(28-2)22-15-17/h3-9,14-15H,10-13H2,1-2H3