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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-thiophen-3-yl-prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-thienyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(3-thiophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(3-thienyl)acrylonitrile Formula: C20H20N2S2 MolecularWeight: 352.5162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2S2/c21-10-17(6-13-1-2-23-11-13)19-22-18(12-24-19)20-7-14-3-15(8-20)5-16(4-14)9-20/h1-2,6,11-12,14-16H,3-5,7-9H2/b17-6+