5-(3-chlorophenyl)sulfanyl-2,4-di(propan-2-yl)-1-(pyridin-4-ylmethyl)pyrrol-3-ol; methane

Systemtic Name: 5-(3-chlorophenyl)sulfanyl-2,4-di(propan-2-yl)-1-(pyridin-4-ylmethyl)pyrrol-3-ol; methane Openeye Name: 5-(3-chlorophenyl)sulfanyl-2,4-diisopropyl-1-(4-pyridylmethyl)pyrrol-3-ol; methane CAS Name: 5-[(3-chlorophenyl)thio]-2,4-di(propan-2-yl)-1-(pyridin-4-ylmethyl)-3-pyrrolol; methane IUPAC Name: 5-(3-chlorophenyl)sulfanyl-2,4-di(propan-2-yl)-1-(pyridin-4-ylmethyl)pyrrol-3-ol; methane Traditional Name: 5-[(3-chlorophenyl)thio]-2,4-diisopropyl-1-(4-pyridylmethyl)pyrrol-3-ol; methane Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)C1=C(N(C(=C1O)C(C)C)CC2=CC=NC=C2)SC3=CC(=CC=C3)Cl

Isomeric SMILES

C.CC(C)C1=C(N(C(=C1O)C(C)C)CC2=CC=NC=C2)SC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2OS.CH4/c1-14(2)19-21(26)20(15(3)4)25(13-16-8-10-24-11-9-16)22(19)27-18-7-5-6-17(23)12-18;/h5-12,14-15,26H,13H2,1-4H3;1H4