2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetic acid IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c20-15(21)12-22-11-13-10-17-19(14-6-2-1-3-7-14)16(13)18-8-4-5-9-18/h1-10H,11-12H2,(H,20,21)