(E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-hydroxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(3-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-hydroxyphenyl)acrylonitrile Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)C(=CC5=CC(=CC=C5)O)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)/C(=C/C5=CC(=CC=C5)O)/C#N

InChI

InChI=1S/C22H22N2OS/c23-12-18(7-14-2-1-3-19(25)8-14)21-24-20(13-26-21)22-9-15-4-16(10-22)6-17(5-15)11-22/h1-3,7-8,13,15-17,25H,4-6,9-11H2/b18-7+