3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanoic acid IUPAC Name: 3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)O)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)O)N3C=CC=C3

InChI

InChI=1S/C17H17N3O2S/c21-16(22)8-11-23-13-14-12-18-20(15-6-2-1-3-7-15)17(14)19-9-4-5-10-19/h1-7,9-10,12H,8,11,13H2,(H,21,22)