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

Systemtic Name: 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(ethylthio)-4-(hydroxymethyl)-2-methyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-(ethylthio)-2-methyl-4-methylol-imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)CO

Isomeric SMILES

CCSC1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)CO

InChI

InChI=1S/C21H22N2O3S/c1-3-27-20-19(13-24)22-14(2)23(20)12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)21(25)26/h4-11,24H,3,12-13H2,1-2H3,(H,25,26)