1-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: 1-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: 1-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: 1-[2-[[2-(1-methyl-4-pyrazolyl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: 1-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: 1-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCNCC2=CC=CC=C2OCC(CN3CCSCC3)O

Isomeric SMILES

CN1C=C(C=N1)CCNCC2=CC=CC=C2OCC(CN3CCSCC3)O

InChI

InChI=1S/C20H30N4O2S/c1-23-14-17(12-22-23)6-7-21-13-18-4-2-3-5-20(18)26-16-19(25)15-24-8-10-27-11-9-24/h2-5,12,14,19,21,25H,6-11,13,15-16H2,1H3