methyl 2-cyano-3-oxidanylidene-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-propanimidothioate

Systemtic Name: methyl 2-cyano-3-oxidanylidene-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-propanimidothioate Openeye Name: methyl 2-cyano-3-oxo-N-(3-pyridylmethyl)-3-(2-thienyl)propanimidothioate CAS Name: 2-cyano-3-oxo-N-(3-pyridinylmethyl)-3-thiophen-2-ylpropanimidothioic acid methyl ester IUPAC Name: methyl 2-cyano-3-oxo-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanimidothioate Traditional Name: 2-cyano-3-keto-N-(3-pyridylmethyl)-3-(2-thienyl)thiopropionimidic acid methyl ester Formula: C15H13N3OS2 MolecularWeight: 315.41322

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CN=CC=C1)C(C#N)C(=O)C2=CC=CS2

Isomeric SMILES

CSC(=NCC1=CN=CC=C1)C(C#N)C(=O)C2=CC=CS2

InChI

InChI=1S/C15H13N3OS2/c1-20-15(18-10-11-4-2-6-17-9-11)12(8-16)14(19)13-5-3-7-21-13/h2-7,9,12H,10H2,1H3