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

Systemtic Name: S-heptyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzenecarbothioate Openeye Name: S-heptyl 3-(1-cyano-2-oxo-3-phenyl-propyl)benzenecarbothioate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)benzenecarbothioic acid S-heptyl ester IUPAC Name: S-heptyl 3-(1-cyano-2-oxo-3-phenylpropyl)benzenecarbothioate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)thiobenzoic acid S-heptyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2S/c1-2-3-4-5-9-15-28-24(27)21-14-10-13-20(17-21)22(18-25)23(26)16-19-11-7-6-8-12-19/h6-8,10-14,17,22H,2-5,9,15-16H2,1H3