S-ethyl 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioate

Systemtic Name: S-ethyl 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioate Openeye Name: S-ethyl 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioate CAS Name: 2-[5-(1-cyanoethyl)-2-phenylphenyl]ethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[5-(1-cyanoethyl)-2-phenylphenyl]ethanethioate Traditional Name: 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioic acid S-ethyl ester Formula: C19H19NOS MolecularWeight: 309.42526

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC1=C(C=CC(=C1)C(C)C#N)C2=CC=CC=C2

Isomeric SMILES

CCSC(=O)CC1=C(C=CC(=C1)C(C)C#N)C2=CC=CC=C2

InChI

InChI=1S/C19H19NOS/c1-3-22-19(21)12-17-11-16(14(2)13-20)9-10-18(17)15-7-5-4-6-8-15/h4-11,14H,3,12H2,1-2H3