2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-tert-butyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-tert-butyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-tert-butyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H25BrN2OS2 MolecularWeight: 525.5235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)C#N)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)C#N)C4=CC=CS4

InChI

InChI=1S/C26H25BrN2OS2/c1-26(2,3)17-8-11-21-19(13-17)24(23-5-4-12-31-23)20(14-28)25(29-21)32-15-22(30)16-6-9-18(27)10-7-16/h4-7,9-10,12,17H,8,11,13,15H2,1-3H3