methyl 3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-N-(pyridin-4-ylmethyl)propanimidothioate

Systemtic Name: methyl 3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-N-(pyridin-4-ylmethyl)propanimidothioate Openeye Name: methyl 3-(4-chlorophenyl)-2-cyano-3-oxo-N-(4-pyridylmethyl)propanimidothioate CAS Name: 3-(4-chlorophenyl)-2-cyano-3-oxo-N-(pyridin-4-ylmethyl)propanimidothioic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-2-cyano-3-oxo-N-(pyridin-4-ylmethyl)propanimidothioate Traditional Name: 3-(4-chlorophenyl)-2-cyano-3-keto-N-(4-pyridylmethyl)thiopropionimidic acid methyl ester Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=NC=C1)C(C#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC(=NCC1=CC=NC=C1)C(C#N)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14ClN3OS/c1-23-17(21-11-12-6-8-20-9-7-12)15(10-19)16(22)13-2-4-14(18)5-3-13/h2-9,15H,11H2,1H3