2-[1-[3-[methyl(phenyl)amino]propyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[3-[methyl(phenyl)amino]propyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[3-(N-methylanilino)propyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[3-(N-methylanilino)propyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[3-(N-methylanilino)propyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[3-(N-methylanilino)propyl]imidazol-2-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C=CN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCCN1C=CN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-17(13-6-3-2-4-7-13)9-5-10-18-11-8-16-15(18)21-12-14(19)20/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,19,20)/p-1