2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)-2-thiophenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]acetamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2OS/c1-15-3-4-16(2)20(5-15)22-14-29-24(21(22)13-26)27-23(28)12-25-9-17-6-18(10-25)8-19(7-17)11-25/h3-5,14,17-19H,6-12H2,1-2H3,(H,27,28)