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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S/c1-27-20-3-2-14(8-19(20)26)7-18(12-24)22-25-21(13-28-22)23-9-15-4-16(10-23)6-17(5-15)11-23/h2-3,7-8,13,15-17,26H,4-6,9-11H2,1H3/b18-7+