ethyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-2-(propylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-2-(propylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-2-(propylamino)thiazole-5-carboxylate CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-2-(propylamino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-2-(propylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-2-(propylamino)thiazole-5-carboxylic acid ethyl ester Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=C(S1)C(=O)OCC)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCCNC1=NC(=C(S1)C(=O)OCC)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C18H22N4O2S2/c1-5-7-20-18-22-14(15(26-18)17(23)24-6-2)10-25-16-13(9-19)11(3)8-12(4)21-16/h8H,5-7,10H2,1-4H3,(H,20,22)