N-(hydroxymethyl)-3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propanethioamide

Systemtic Name: N-(hydroxymethyl)-3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propanethioamide Openeye Name: N-(hydroxymethyl)-3-(6-oxo-3-phenyl-pyridazin-1-yl)propanethioamide CAS Name: N-(hydroxymethyl)-3-(6-oxo-3-phenyl-1-pyridazinyl)propanethioamide IUPAC Name: N-(hydroxymethyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanethioamide Traditional Name: 3-(6-keto-3-phenyl-pyridazin-1-yl)-N-methylol-thiopropionamide Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=S)NCO

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=S)NCO

InChI

InChI=1S/C14H15N3O2S/c18-10-15-13(20)8-9-17-14(19)7-6-12(16-17)11-4-2-1-3-5-11/h1-7,18H,8-10H2,(H,15,20)