N-(4-bromophenyl)-2-[[(3S,4R)-3,5-dicyano-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[(3S,4R)-3,5-dicyano-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[(3S,4R)-3,5-dicyano-4-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[(3S,4R)-3,5-dicyano-4-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[(3S,4R)-3,5-dicyano-4-methyl-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[(3S,4R)-3,5-dicyano-2-keto-4-methyl-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C[C@@H]1[C@H](C(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C16H13BrN4O2S/c1-9-12(6-18)15(23)21-16(13(9)7-19)24-8-14(22)20-11-4-2-10(17)3-5-11/h2-5,9,12H,8H2,1H3,(H,20,22)(H,21,23)/t9-,12-/m1/s1