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

Systemtic Name: 2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[(4-cyanophenyl)methyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-cyanobenzyl)imidazol-2-yl]thio]acetic acid Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2SCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2SCC(=O)O)C#N

InChI

InChI=1S/C13H11N3O2S/c14-7-10-1-3-11(4-2-10)8-16-6-5-15-13(16)19-9-12(17)18/h1-6H,8-9H2,(H,17,18)