4-(4-bromophenyl)-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(4-bromophenyl)-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(4-bromophenyl)-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(4-bromophenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(4-bromophenyl)-2-keto-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C21H17BrN2O3S/c1-27-16-8-4-14(5-9-16)19(25)12-28-21-18(11-23)17(10-20(26)24-21)13-2-6-15(22)7-3-13/h2-9,17H,10,12H2,1H3,(H,24,26)