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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(2-methylpyrazol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(2-methylpyrazol-3-yl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(2-methyl-3-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(2-methylpyrazol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(2-methylpyrazol-3-yl)acrylonitrile Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C=C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=CC=N1)/C=C(\C#N)/C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H22N4S/c1-24-17(2-3-22-24)7-16(11-21)19-23-18(12-25-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,12-15H,4-6,8-10H2,1H3/b16-7+