O-[4-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]phenyl] methanethioate

Systemtic Name: O-[4-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]phenyl] methanethioate Openeye Name: O-[4-[3-(4-methylpiperazin-1-yl)-4-(4-pyridyl)-1H-pyrazol-5-yl]phenyl] methanethioate CAS Name: methanethioic acid O-[4-[3-(4-methyl-1-piperazinyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]phenyl] ester IUPAC Name: O-[4-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]phenyl] methanethioate Traditional Name: methanethioic acid O-[4-[3-(4-methylpiperazino)-4-(4-pyridyl)-1H-pyrazol-5-yl]phenyl] ester Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)OC=S

Isomeric SMILES

CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)OC=S

InChI

InChI=1S/C20H21N5OS/c1-24-10-12-25(13-11-24)20-18(15-6-8-21-9-7-15)19(22-23-20)16-2-4-17(5-3-16)26-14-27/h2-9,14H,10-13H2,1H3,(H,22,23)