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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(2-ethylpyrazol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(2-ethylpyrazol-3-yl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(2-ethyl-3-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(2-ethylpyrazol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(2-ethylpyrazol-3-yl)acrylonitrile Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C=C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=CC=N1)/C=C(\C#N)/C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N4S/c1-2-25-18(3-4-23-25)8-17(12-22)20-24-19(13-26-20)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16H,2,5-7,9-11H2,1H3/b17-8+