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

Systemtic Name: methyl 2-cyano-3-cyclopropyl-3-oxidanylidene-N-(pyridin-3-ylmethyl)propanimidothioate Openeye Name: methyl 2-cyano-3-cyclopropyl-3-oxo-N-(3-pyridylmethyl)propanimidothioate CAS Name: 2-cyano-3-cyclopropyl-3-oxo-N-(3-pyridinylmethyl)propanimidothioic acid methyl ester IUPAC Name: methyl 2-cyano-3-cyclopropyl-3-oxo-N-(pyridin-3-ylmethyl)propanimidothioate Traditional Name: 2-cyano-3-cyclopropyl-3-keto-N-(3-pyridylmethyl)thiopropionimidic acid methyl ester Formula: C14H15N3OS MolecularWeight: 273.3534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CN=CC=C1)C(C#N)C(=O)C2CC2

Isomeric SMILES

CSC(=NCC1=CN=CC=C1)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C14H15N3OS/c1-19-14(12(7-15)13(18)11-4-5-11)17-9-10-3-2-6-16-8-10/h2-3,6,8,11-12H,4-5,9H2,1H3