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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-methoxyphenyl)acrylonitrile Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H24N2OS/c1-26-20-4-2-3-15(9-20)8-19(13-24)22-25-21(14-27-22)23-10-16-5-17(11-23)7-18(6-16)12-23/h2-4,8-9,14,16-18H,5-7,10-12H2,1H3/b19-8+