1-(propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethylsulfanyl)phenoxy]propan-2-ol

Systemtic Name: 1-(propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethylsulfanyl)phenoxy]propan-2-ol Openeye Name: 1-(isopropylamino)-3-[4-(2-pyrazol-1-ylethylsulfanyl)phenoxy]propan-2-ol CAS Name: 1-(propan-2-ylamino)-3-[4-[2-(1-pyrazolyl)ethylthio]phenoxy]-2-propanol IUPAC Name: 1-(propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethylsulfanyl)phenoxy]propan-2-ol Traditional Name: 1-(isopropylamino)-3-[4-(2-pyrazol-1-ylethylthio)phenoxy]propan-2-ol Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)SCCN2C=CC=N2)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)SCCN2C=CC=N2)O

InChI

InChI=1S/C17H25N3O2S/c1-14(2)18-12-15(21)13-22-16-4-6-17(7-5-16)23-11-10-20-9-3-8-19-20/h3-9,14-15,18,21H,10-13H2,1-2H3