4-azanyl-4-oxidanyl-2-propan-2-yl-5-[2-(1H-pyrrol-2-yl)phenoxy]pentanethial

Systemtic Name: 4-azanyl-4-oxidanyl-2-propan-2-yl-5-[2-(1H-pyrrol-2-yl)phenoxy]pentanethial Openeye Name: 4-amino-4-hydroxy-2-isopropyl-5-[2-(1H-pyrrol-2-yl)phenoxy]pentanethial CAS Name: 4-amino-4-hydroxy-2-propan-2-yl-5-[2-(1H-pyrrol-2-yl)phenoxy]pentanethial IUPAC Name: 4-amino-4-hydroxy-2-propan-2-yl-5-[2-(1H-pyrrol-2-yl)phenoxy]pentanethial Traditional Name: 4-amino-4-hydroxy-2-isopropyl-5-[2-(1H-pyrrol-2-yl)phenoxy]thiovaleraldehyde Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(COC1=CC=CC=C1C2=CC=CN2)(N)O)C=S

Isomeric SMILES

CC(C)C(CC(COC1=CC=CC=C1C2=CC=CN2)(N)O)C=S

InChI

InChI=1S/C18H24N2O2S/c1-13(2)14(11-23)10-18(19,21)12-22-17-8-4-3-6-15(17)16-7-5-9-20-16/h3-9,11,13-14,20-21H,10,12,19H2,1-2H3