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

Systemtic Name: methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate Openeye Name: methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate CAS Name: 4-[(1-phenyl-2-imidazolyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate Traditional Name: 4-[(1-phenylimidazol-2-yl)thio]butyric acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC=CN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCSC1=NC=CN1C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-18-13(17)8-5-11-19-14-15-9-10-16(14)12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3