2-nitro-4-[(E)-[4-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-ylidene]methyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-[4-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-ylidene]methyl]phenolate Openeye Name: 2-nitro-4-[(E)-[4-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiazol-5-ylidene]methyl]phenolate CAS Name: 2-nitro-4-[(E)-[4-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(E)-[4-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-ylidene]methyl]phenolate Traditional Name: 4-[(E)-[4-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-2-thiazolin-5-ylidene]methyl]-2-nitro-phenolate Formula: C21H16F3N4O4S- MolecularWeight: 477.43635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)C(=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-])S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)[O-])[N+](=O)[O-])/S3

InChI

InChI=1S/C21H17F3N4O4S/c22-21(23,24)14-2-1-3-15(12-14)26-6-8-27(9-7-26)20-25-19(30)18(33-20)11-13-4-5-17(29)16(10-13)28(31)32/h1-5,10-12,29H,6-9H2/p-1/b18-11+