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2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid

2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name:2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid
Openeye Name:2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid
CAS Name:2-[4-[[5-(hydroxymethyl)-2-(propylthio)-1-imidazolyl]methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]phenyl]benzoic acid
Traditional Name:2-[4-[[5-methylol-2-(propylthio)imidazol-1-yl]methyl]phenyl]benzoic acid
Formula: C21H22N2O3S
MolecularWeight: 382.47598
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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO


Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO


InChI

InChI=1S/C21H22N2O3S/c1-2-11-27-21-22-12-17(14-24)23(21)13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)20(25)26/h3-10,12,24H,2,11,13-14H2,1H3,(H,25,26)


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