6-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-keto-propyl]thio]nicotinonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C22H25N3OS/c1-2-3-9-19-12-11-18(16-23)22(24-19)27-15-13-21(26)25-14-6-8-17-7-4-5-10-20(17)25/h4-5,7,10-12H,2-3,6,8-9,13-15H2,1H3