2-[1-(4-aminocarbonylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-aminocarbonylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-carbamoylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-carbamoylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-carbamoylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-carbamoylphenyl)imidazol-2-yl]thio]acetic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C=CN=C2SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C12H11N3O3S/c13-11(18)8-1-3-9(4-2-8)15-6-5-14-12(15)19-7-10(16)17/h1-6H,7H2,(H2,13,18)(H,16,17)