2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(3-bromophenyl)-2-oxoethyl]thio]-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=CC=C2)Br)C#N)C3=CN=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=CC=C2)Br)C#N)C3=CN=CC=C3)C(=O)C

InChI

InChI=1S/C22H18BrN3O2S/c1-13-20(14(2)27)21(16-6-4-8-25-11-16)18(10-24)22(26-13)29-12-19(28)15-5-3-7-17(23)9-15/h3-9,11,21,26H,12H2,1-2H3