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

Systemtic Name: 7-tert-butyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 7-tert-butyl-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 7-tert-butyl-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 7-tert-butyl-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 7-tert-butyl-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H29FN2OS2 MolecularWeight: 492.671063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN2OS2/c1-28(2,3)19-10-13-21-23(16-19)31-27(22(17-30)26(21)25-7-5-14-33-25)34-15-4-6-24(32)18-8-11-20(29)12-9-18/h5,7-9,11-12,14,19H,4,6,10,13,15-16H2,1-3H3