3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[5-(1-adamantyl)-2-ethoxyphenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[5-(1-adamantyl)-2-ethoxyphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[5-(1-adamantyl)-2-ethoxy-phenyl]-2-cyano-thioacrylamide Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C=C(C#N)C(=S)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C=C(C#N)C(=S)N

InChI

InChI=1S/C22H26N2OS/c1-2-25-20-4-3-19(9-17(20)8-18(13-23)21(24)26)22-10-14-5-15(11-22)7-16(6-14)12-22/h3-4,8-9,14-16H,2,5-7,10-12H2,1H3,(H2,24,26)