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

Systemtic Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-2-thiophenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]acetamide Formula: C23H22Cl2N2OS MolecularWeight: 445.40458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=C(C(=CS4)C5=C(C=C(C=C5)Cl)Cl)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=C(C(=CS4)C5=C(C=C(C=C5)Cl)Cl)C#N

InChI

InChI=1S/C23H22Cl2N2OS/c24-16-1-2-17(20(25)6-16)19-12-29-22(18(19)11-26)27-21(28)10-23-7-13-3-14(8-23)5-15(4-13)9-23/h1-2,6,12-15H,3-5,7-10H2,(H,27,28)