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

Systemtic Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Openeye Name: [4-isopropyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrol-3-yl]methanol CAS Name: [5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methanol IUPAC Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Traditional Name: [4-isopropyl-5-(phenylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methanol Formula: C20H22N2OS MolecularWeight: 338.46648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C=C1CO)CC2=CC=NC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(C=C1CO)CC2=CC=NC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H22N2OS/c1-15(2)19-17(14-23)13-22(12-16-8-10-21-11-9-16)20(19)24-18-6-4-3-5-7-18/h3-11,13,15,23H,12,14H2,1-2H3