4-[[2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[[2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxo-thiazol-5-ylidene]methyl]-2-nitro-phenolate CAS Name: 4-[[2-[4-(2-cyanoethyl)-1-piperazin-4-iumyl]-4-oxo-5-thiazolylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[[2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[[2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-keto-2-thiazolin-5-ylidene]methyl]-2-nitro-phenolate Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])S2

InChI

InChI=1S/C17H17N5O4S/c18-4-1-5-20-6-8-21(9-7-20)17-19-16(24)15(27-17)11-12-2-3-14(23)13(10-12)22(25)26/h2-3,10-11,23H,1,5-9H2