4-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]benzonitrile CAS Name: 4-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]benzonitrile Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]acetyl]benzonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3OS/c1-16-7-6-15-13(16)18-9-12(17)11-4-2-10(8-14)3-5-11/h2-7H,9H2,1H3