3-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]anilino)propionamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C

InChI

InChI=1S/C19H20N4O2S/c1-13-10-14(2)22-19(16(13)11-20)26-12-18(25)23(9-8-17(21)24)15-6-4-3-5-7-15/h3-7,10H,8-9,12H2,1-2H3,(H2,21,24)