4-[2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]thio]acetyl]amino]benzamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H17N5O2S/c1-13-9-17(15-3-2-8-24-11-15)18(10-22)21(25-13)29-12-19(27)26-16-6-4-14(5-7-16)20(23)28/h2-9,11H,12H2,1H3,(H2,23,28)(H,26,27)