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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-4-(3-methyl-2-thiophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridine-3-carbonitrile Formula: C22H19BrN2O2S2 MolecularWeight: 487.43246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C22H19BrN2O2S2/c1-12-8-9-28-21(12)20-17(10-24)22(25-13(2)19(20)14(3)26)29-11-18(27)15-4-6-16(23)7-5-15/h4-9,20,25H,11H2,1-3H3