2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-4-[3-(thiophen-3-ylmethoxy)phenoxy]butanenitrile

Systemtic Name: 2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-4-[3-(thiophen-3-ylmethoxy)phenoxy]butanenitrile Openeye Name: 2-[2-(o-tolyl)ethyl]-3-oxo-4-[3-(3-thienylmethoxy)phenoxy]butanenitrile CAS Name: 2-[2-(2-methylphenyl)ethyl]-3-oxo-4-[3-(3-thiophenylmethoxy)phenoxy]butanenitrile IUPAC Name: 2-[2-(2-methylphenyl)ethyl]-3-oxo-4-[3-(thiophen-3-ylmethoxy)phenoxy]butanenitrile Traditional Name: 3-keto-2-[2-(o-tolyl)ethyl]-4-[3-(3-thenyloxy)phenoxy]butyronitrile Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C#N)C(=O)COC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C#N)C(=O)COC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C24H23NO3S/c1-18-5-2-3-6-20(18)9-10-21(14-25)24(26)16-28-23-8-4-7-22(13-23)27-15-19-11-12-29-17-19/h2-8,11-13,17,21H,9-10,15-16H2,1H3