S-[4,5-bis(chloranyl)-2-(pyridin-4-ylcarbonylamino)phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[4,5-bis(chloranyl)-2-(pyridin-4-ylcarbonylamino)phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[4,5-dichloro-2-(pyridine-4-carbonylamino)phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[4,5-dichloro-2-[[oxo(pyridin-4-yl)methyl]amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-(pyridine-4-carbonylamino)phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-(4,5-dichloro-2-isonicotinamido-phenyl) ester Formula: C17H16Cl2N2O2S MolecularWeight: 383.29214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SC1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)SC1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O2S/c1-17(2,3)16(23)24-14-9-12(19)11(18)8-13(14)21-15(22)10-4-6-20-7-5-10/h4-9H,1-3H3,(H,21,22)