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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyridin-3-yl-prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(3-pyridinyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-pyridyl)acrylonitrile Formula: C21H21N3S MolecularWeight: 347.47654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3S/c22-11-18(7-14-2-1-3-23-12-14)20-24-19(13-25-20)21-8-15-4-16(9-21)6-17(5-15)10-21/h1-3,7,12-13,15-17H,4-6,8-10H2/b18-7+