2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(3-bromophenyl)-2-oxoethyl]thio]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C20H17BrN2O2S MolecularWeight: 429.33018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCC(=O)C3=CC(=CC=C3)Br)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCC(=O)C3=CC(=CC=C3)Br)C#N)C(=O)C1)C

InChI

InChI=1S/C20H17BrN2O2S/c1-20(2)8-16-15(17(24)9-20)7-13(10-22)19(23-16)26-11-18(25)12-4-3-5-14(21)6-12/h3-7H,8-9,11H2,1-2H3