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

Systemtic Name: 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]sulfanyl-6-propyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]sulfanyl-6-propyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]thio]-6-propyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanyl-6-propylpyridine-3-carbonitrile Traditional Name: 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-keto-propyl]thio]-6-propyl-nicotinonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C21H23N3OS/c1-2-6-18-11-10-17(15-22)21(23-18)26-14-12-20(25)24-13-5-8-16-7-3-4-9-19(16)24/h3-4,7,9-11H,2,5-6,8,12-14H2,1H3