[2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-(2-pyridin-3-ylphenyl)sulfanyl-pyrrol-3-yl]methanol

Systemtic Name: [2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-(2-pyridin-3-ylphenyl)sulfanyl-pyrrol-3-yl]methanol Openeye Name: [4-isopropyl-2-methyl-1-(4-pyridylmethyl)-5-[2-(3-pyridyl)phenyl]sulfanyl-pyrrol-3-yl]methanol CAS Name: [2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-[[2-(3-pyridinyl)phenyl]thio]-3-pyrrolyl]methanol IUPAC Name: [2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-5-(2-pyridin-3-ylphenyl)sulfanylpyrrol-3-yl]methanol Traditional Name: [4-isopropyl-2-methyl-1-(4-pyridylmethyl)-5-[[2-(3-pyridyl)phenyl]thio]pyrrol-3-yl]methanol Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=CC=C3C4=CN=CC=C4)C(C)C)CO

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=CC=C3C4=CN=CC=C4)C(C)C)CO

InChI

InChI=1S/C26H27N3OS/c1-18(2)25-23(17-30)19(3)29(16-20-10-13-27-14-11-20)26(25)31-24-9-5-4-8-22(24)21-7-6-12-28-15-21/h4-15,18,30H,16-17H2,1-3H3