cyanomethyl 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: cyanomethyl 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: cyanomethyl 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid cyanomethyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC#N)C

InChI

InChI=1S/C18H17NO2S/c1-13-6-7-17(14(2)10-13)22-12-15-4-3-5-16(11-15)18(20)21-9-8-19/h3-7,10-11H,9,12H2,1-2H3