(3R,4R)-4-(4-bromophenyl)-5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile

Systemtic Name: (3R,4R)-4-(4-bromophenyl)-5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile Openeye Name: (3R,4R)-5-acetyl-4-(4-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyridine-3-carbonitrile CAS Name: (3R,4R)-5-acetyl-4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile IUPAC Name: (3R,4R)-5-acetyl-4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile Traditional Name: (3R,4R)-5-acetyl-4-(4-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyridine-3-carbonitrile Formula: C15H13BrN2OS MolecularWeight: 349.24552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=S)N1)C#N)C2=CC=C(C=C2)Br)C(=O)C

Isomeric SMILES

CC1=C([C@H]([C@@H](C(=S)N1)C#N)C2=CC=C(C=C2)Br)C(=O)C

InChI

InChI=1S/C15H13BrN2OS/c1-8-13(9(2)19)14(12(7-17)15(20)18-8)10-3-5-11(16)6-4-10/h3-6,12,14H,1-2H3,(H,18,20)/t12-,14-/m0/s1