S-phenyl 5-cyano-2-methylidene-pentanethioate

Systemtic Name: S-phenyl 5-cyano-2-methylidene-pentanethioate Openeye Name: S-phenyl 5-cyano-2-methylene-pentanethioate CAS Name: 5-cyano-2-methylenepentanethioic acid S-phenyl ester IUPAC Name: S-phenyl 5-cyano-2-methylidenepentanethioate Traditional Name: 2-(3-cyanopropyl)prop-2-enethioic acid S-phenyl ester Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCC#N)C(=O)SC1=CC=CC=C1

Isomeric SMILES

C=C(CCCC#N)C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C13H13NOS/c1-11(7-5-6-10-14)13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,1,5-7H2