4-(1-phenylimidazol-2-yl)sulfanylbutanoate

Systemtic Name: 4-(1-phenylimidazol-2-yl)sulfanylbutanoate Openeye Name: 4-(1-phenylimidazol-2-yl)sulfanylbutanoate CAS Name: 4-[(1-phenyl-2-imidazolyl)thio]butanoate IUPAC Name: 4-(1-phenylimidazol-2-yl)sulfanylbutanoate Traditional Name: 4-[(1-phenylimidazol-2-yl)thio]butyrate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CN=C2SCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=CN=C2SCCCC(=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c16-12(17)7-4-10-18-13-14-8-9-15(13)11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,16,17)/p-1