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

Systemtic Name: [5-(2-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Openeye Name: [4-isopropyl-5-(o-tolylsulfanyl)-1-(4-pyridylmethyl)pyrrol-3-yl]methanol CAS Name: [5-[(2-methylphenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methanol IUPAC Name: [5-(2-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Traditional Name: [4-isopropyl-5-(o-tolylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methanol Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C(=CN2CC3=CC=NC=C3)CO)C(C)C

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C(=CN2CC3=CC=NC=C3)CO)C(C)C

InChI

InChI=1S/C21H24N2OS/c1-15(2)20-18(14-24)13-23(12-17-8-10-22-11-9-17)21(20)25-19-7-5-4-6-16(19)3/h4-11,13,15,24H,12,14H2,1-3H3