3-(1H-imidazol-5-yl)-2-[[3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazol-4-yl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazol-4-yl]amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazol-4-yl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-[4-(methylthio)phenyl]-4,5-dihydro-1H-pyrazol-4-yl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[3-(4-methylsulfanylphenyl)-4,5-dihydro-1H-pyrazol-4-yl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[3-[4-(methylthio)phenyl]-2-pyrazolin-4-yl]amino]propionic acid Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NNCC2NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NNCC2NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C16H19N5O2S/c1-24-12-4-2-10(3-5-12)15-14(8-19-21-15)20-13(16(22)23)6-11-7-17-9-18-11/h2-5,7,9,13-14,19-20H,6,8H2,1H3,(H,17,18)(H,22,23)