4-[[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-(1-adamantyl)thiazol-2-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-(1-adamantyl)-2-thiazolyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(1-adamantyl)thiazol-2-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC=C5C=CC(=O)C=C5O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC=C5C=CC(=O)C=C5O

InChI

InChI=1S/C20H22N2O2S/c23-16-2-1-15(17(24)6-16)10-21-19-22-18(11-25-19)20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,10-14,24H,3-5,7-9H2,(H,21,22)