6-[[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]methylidene]-4-bromanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]methylidene]-4-bromanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-(1-adamantyl)thiazol-2-yl]amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(1-adamantyl)-2-thiazolyl]amino]methylidene]-4-bromo-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]methylidene]-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(1-adamantyl)thiazol-2-yl]amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C20H21BrN2OS MolecularWeight: 417.36254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC=C5C=C(C=CC5=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC=C5C=C(C=CC5=O)Br

InChI

InChI=1S/C20H21BrN2OS/c21-16-1-2-17(24)15(6-16)10-22-19-23-18(11-25-19)20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,10-14H,3-5,7-9H2,(H,22,23)