potassium (E)-[1-[4-(ethanethioylamino)phenyl]-3-methoxy-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: potassium (E)-[1-[4-(ethanethioylamino)phenyl]-3-methoxy-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: potassium (E)-[1-[4-(ethanethioylamino)phenyl]-3-methoxy-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: potassium (E)-[3-methoxy-5-oxo-1-[4-(1-sulfanylideneethylamino)phenyl]-4-pyrazolylidene]methanolate IUPAC Name: potassium (E)-[1-[4-(ethanethioylamino)phenyl]-3-methoxy-5-oxopyrazol-4-ylidene]methanolate Traditional Name: potassium (E)-[5-keto-3-methoxy-1-[4-(thioacetylamino)phenyl]-2-pyrazolin-4-ylidene]methanolate Formula: C13H12KN3O3S MolecularWeight: 329.41598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)OC.[K+]

Isomeric SMILES

CC(=S)NC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)OC.[K+]

InChI

InChI=1S/C13H13N3O3S.K/c1-8(20)14-9-3-5-10(6-4-9)16-13(18)11(7-17)12(15-16)19-2;/h3-7,17H,1-2H3,(H,14,20);/q;+1/p-1/b11-7+;