2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide Formula: C21H21N5O3S3 MolecularWeight: 487.61814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C21H21N5O3S3/c1-14(2)11-17-4-3-15(12-22)20(25-17)31-13-19(27)24-16-5-7-18(8-6-16)32(28,29)26-21-23-9-10-30-21/h3-10,14H,11,13H2,1-2H3,(H,23,26)(H,24,27)