S-propyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzenecarbothioate

Systemtic Name: S-propyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzenecarbothioate Openeye Name: S-propyl 3-(1-cyano-2-oxo-3-phenyl-propyl)benzenecarbothioate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)benzenecarbothioic acid S-propyl ester IUPAC Name: S-propyl 3-(1-cyano-2-oxo-3-phenylpropyl)benzenecarbothioate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)thiobenzoic acid S-propyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=CC(=CC=C1)C(C#N)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCSC(=O)C1=CC(=CC=C1)C(C#N)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H19NO2S/c1-2-11-24-20(23)17-10-6-9-16(13-17)18(14-21)19(22)12-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12H2,1H3