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

Systemtic Name: [5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Openeye Name: [5-(3,5-dimethylphenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrol-3-yl]methanol CAS Name: [5-[(3,5-dimethylphenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methanol IUPAC Name: [5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Traditional Name: [5-[(3,5-dimethylphenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)pyrrol-3-yl]methanol Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=CN2CC3=CC=NC=C3)CO)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=CN2CC3=CC=NC=C3)CO)C(C)C)C

InChI

InChI=1S/C22H26N2OS/c1-15(2)21-19(14-25)13-24(12-18-5-7-23-8-6-18)22(21)26-20-10-16(3)9-17(4)11-20/h5-11,13,15,25H,12,14H2,1-4H3