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

Systemtic Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-quinoxalin-2-yl-prop-2-enenitrile Openeye Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-quinoxalin-2-yl-prop-2-enenitrile CAS Name: (E)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(2-quinoxalinyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-quinoxalin-2-ylprop-2-enenitrile Traditional Name: (E)-2-[4-(1-adamantyl)thiazol-2-yl]-3-quinoxalin-2-yl-acrylonitrile Formula: C24H22N4S MolecularWeight: 398.52328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)C(=CC5=NC6=CC=CC=C6N=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)/C(=C/C5=NC6=CC=CC=C6N=C5)/C#N

InChI

InChI=1S/C24H22N4S/c25-12-18(8-19-13-26-20-3-1-2-4-21(20)27-19)23-28-22(14-29-23)24-9-15-5-16(10-24)7-17(6-15)11-24/h1-4,8,13-17H,5-7,9-11H2/b18-8+