3-[[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(hydroxymethyl)-1-prop-2-ynyl-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-methylol-1-propargyl-imidazol-2-yl)thio]methyl]benzonitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=CN=C1SCC2=CC=CC(=C2)C#N)CO

Isomeric SMILES

C#CCN1C(=CN=C1SCC2=CC=CC(=C2)C#N)CO

InChI

InChI=1S/C15H13N3OS/c1-2-6-18-14(10-19)9-17-15(18)20-11-13-5-3-4-12(7-13)8-16/h1,3-5,7,9,19H,6,10-11H2