1-[5-(3-chlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]ethanol

Systemtic Name: 1-[5-(3-chlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]ethanol Openeye Name: 1-[5-(3-chlorophenyl)sulfanyl-2-(hydroxymethyl)-4-isopropyl-1-(4-pyridylmethyl)pyrrol-3-yl]ethanol CAS Name: 1-[5-[(3-chlorophenyl)thio]-2-(hydroxymethyl)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]ethanol IUPAC Name: 1-[5-(3-chlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]ethanol Traditional Name: 1-[5-[(3-chlorophenyl)thio]-4-isopropyl-2-methylol-1-(4-pyridylmethyl)pyrrol-3-yl]ethanol Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=C1C(C)O)CO)CC2=CC=NC=C2)SC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=C(N(C(=C1C(C)O)CO)CC2=CC=NC=C2)SC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-14(2)20-21(15(3)27)19(13-26)25(12-16-7-9-24-10-8-16)22(20)28-18-6-4-5-17(23)11-18/h4-11,14-15,26-27H,12-13H2,1-3H3