2,6-ditert-butyl-4-[(Z)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[(Z)-2-cyano-3-oxidanylidene-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenolate Openeye Name: 2,6-ditert-butyl-4-[(Z)-2-cyano-3-oxo-3-(thiazol-2-ylamino)prop-1-enyl]phenolate CAS Name: 2,6-ditert-butyl-4-[(Z)-2-cyano-3-oxo-3-(2-thiazolylamino)prop-1-enyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[(Z)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenolate Traditional Name: 2,6-ditert-butyl-4-[(Z)-2-cyano-3-keto-3-(thiazol-2-ylamino)prop-1-enyl]phenolate Formula: C21H24N3O2S- MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C=C(C#N)C(=O)NC2=NC=CS2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)/C=C(/C#N)\C(=O)NC2=NC=CS2

InChI

InChI=1S/C21H25N3O2S/c1-20(2,3)15-10-13(11-16(17(15)25)21(4,5)6)9-14(12-22)18(26)24-19-23-7-8-27-19/h7-11,25H,1-6H3,(H,23,24,26)/p-1/b14-9-