1-[4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: 1-[4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: 1-[4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: 1-[4-[[(1,5-dimethyl-4-pyrazolyl)methylamino]methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: 1-[4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: 1-[4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNCC2=CC(=C(C=C2)OCC(CN3CCSCC3)O)OC

Isomeric SMILES

CC1=C(C=NN1C)CNCC2=CC(=C(C=C2)OCC(CN3CCSCC3)O)OC

InChI

InChI=1S/C21H32N4O3S/c1-16-18(13-23-24(16)2)12-22-11-17-4-5-20(21(10-17)27-3)28-15-19(26)14-25-6-8-29-9-7-25/h4-5,10,13,19,22,26H,6-9,11-12,14-15H2,1-3H3