2-cyclopropylcarbonyl-3-[4-ethylsulfanyl-2-(phenylmethyl)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-[4-ethylsulfanyl-2-(phenylmethyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(2-benzyl-4-ethylsulfanyl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[4-(ethylthio)-2-(phenylmethyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(2-benzyl-4-ethylsulfanylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-[2-benzyl-4-(ethylthio)benzoyl]-3-cyclopropyl-3-keto-propionitrile Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO2S/c1-2-26-18-10-11-19(17(13-18)12-15-6-4-3-5-7-15)22(25)20(14-23)21(24)16-8-9-16/h3-7,10-11,13,16,20H,2,8-9,12H2,1H3