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

Systemtic Name: 4-[(5-methanoyl-2-propylsulfanyl-imidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(5-formyl-2-propylsulfanyl-imidazol-1-yl)methyl]benzoic acid CAS Name: 4-[[5-formyl-2-(propylthio)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[(5-formyl-2-propylsulfanylimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[[5-formyl-2-(propylthio)imidazol-1-yl]methyl]benzoic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=O

InChI

InChI=1S/C15H16N2O3S/c1-2-7-21-15-16-8-13(10-18)17(15)9-11-3-5-12(6-4-11)14(19)20/h3-6,8,10H,2,7,9H2,1H3,(H,19,20)