1-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: 1-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: 1-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: 1-[2-methoxy-4-[[3-(1-pyrazolyl)propylamino]methyl]phenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: 1-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: 1-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]-3-thiomorpholino-propan-2-ol Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCCN2C=CC=N2)OCC(CN3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCCN2C=CC=N2)OCC(CN3CCSCC3)O

InChI

InChI=1S/C21H32N4O3S/c1-27-21-14-18(15-22-6-2-8-25-9-3-7-23-25)4-5-20(21)28-17-19(26)16-24-10-12-29-13-11-24/h3-5,7,9,14,19,22,26H,2,6,8,10-13,15-17H2,1H3