6-tert-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-keto-propyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)N3CCCC4=CC=CC=C43)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)N3CCCC4=CC=CC=C43)C#N

InChI

InChI=1S/C26H31N3OS/c1-26(2,3)21-10-11-22-19(16-21)15-20(17-27)25(28-22)31-14-12-24(30)29-13-6-8-18-7-4-5-9-23(18)29/h4-5,7,9,15,21H,6,8,10-14,16H2,1-3H3