2-[1-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(cyclopropylamino)-2-oxo-ethyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(cyclopropylamino)-2-oxoethyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(cyclopropylamino)-2-oxoethyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(cyclopropylamino)-2-keto-ethyl]imidazol-2-yl]thio]acetic acid Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CN2C=CN=C2SCC(=O)O

Isomeric SMILES

C1CC1NC(=O)CN2C=CN=C2SCC(=O)O

InChI

InChI=1S/C10H13N3O3S/c14-8(12-7-1-2-7)5-13-4-3-11-10(13)17-6-9(15)16/h3-4,7H,1-2,5-6H2,(H,12,14)(H,15,16)