2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H21BrN2O2S MolecularWeight: 493.41544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C25H21BrN2O2S/c1-30-19-12-8-17(9-13-19)24-20-4-2-3-5-22(20)28-25(21(24)14-27)31-15-23(29)16-6-10-18(26)11-7-16/h6-13H,2-5,15H2,1H3