N-(1-oxidanyl-2-oxidanylidene-2-phenyl-ethyl)pyridine-3-carbothioamide

Systemtic Name: N-(1-oxidanyl-2-oxidanylidene-2-phenyl-ethyl)pyridine-3-carbothioamide Openeye Name: N-(1-hydroxy-2-oxo-2-phenyl-ethyl)pyridine-3-carbothioamide CAS Name: N-(1-hydroxy-2-oxo-2-phenylethyl)-3-pyridinecarbothioamide IUPAC Name: N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide Traditional Name: N-(1-hydroxy-2-keto-2-phenyl-ethyl)thionicotinamide Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(NC(=S)C2=CN=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(NC(=S)C2=CN=CC=C2)O

InChI

InChI=1S/C14H12N2O2S/c17-12(10-5-2-1-3-6-10)13(18)16-14(19)11-7-4-8-15-9-11/h1-9,13,18H,(H,16,19)