(E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(5-methyl-2-furyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(5-methyl-2-furanyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(5-methyl-2-furyl)acrylonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(O1)/C=C(\C#N)/C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H22N2OS/c1-13-2-3-18(24-13)7-17(11-22)20-23-19(12-25-20)21-8-14-4-15(9-21)6-16(5-14)10-21/h2-3,7,12,14-16H,4-6,8-10H2,1H3/b17-7+