(5S,6S)-3-oxidanylidene-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)cyclohexen-1-olate

Systemtic Name: (5S,6S)-3-oxidanylidene-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)cyclohexen-1-olate Openeye Name: (5S,6S)-3-oxo-5-(2-thienyl)-6-(1,2,4-triazol-1-yl)cyclohexen-1-olate CAS Name: (5S,6S)-3-oxo-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)-1-cyclohexenolate IUPAC Name: (5S,6S)-3-oxo-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)cyclohexen-1-olate Traditional Name: (5S,6S)-3-keto-5-(2-thienyl)-6-(1,2,4-triazol-1-yl)cyclohexen-1-olate Formula: C12H10N3O2S- MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=CC1=O)[O-])N2C=NC=N2)C3=CC=CS3

Isomeric SMILES

C1[C@@H]([C@@H](C(=CC1=O)[O-])N2C=NC=N2)C3=CC=CS3

InChI

InChI=1S/C12H11N3O2S/c16-8-4-9(11-2-1-3-18-11)12(10(17)5-8)15-7-13-6-14-15/h1-3,5-7,9,12,17H,4H2/p-1/t9-,12+/m1/s1