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

Systemtic Name: [2-methyl-5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Openeye Name: [4-isopropyl-2-methyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrol-3-yl]methanol CAS Name: [2-methyl-5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methanol IUPAC Name: [2-methyl-5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Traditional Name: [4-isopropyl-2-methyl-5-(phenylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methanol Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=CC=C3)C(C)C)CO

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=CC=C3)C(C)C)CO

InChI

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