4-(dimethylamino)-2-octadecylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(dimethylamino)-2-octadecylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(dimethylamino)-2-octadecylsulfanyl-pyridine-3-carbonitrile CAS Name: 4-(dimethylamino)-2-(octadecylthio)-3-pyridinecarbonitrile IUPAC Name: 4-(dimethylamino)-2-octadecylsulfanylpyridine-3-carbonitrile Traditional Name: 4-(dimethylamino)-2-(stearylthio)nicotinonitrile Formula: C26H45N3S MolecularWeight: 431.7206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC=CC(=C1C#N)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC=CC(=C1C#N)N(C)C

InChI

InChI=1S/C26H45N3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-26-24(23-27)25(29(2)3)20-21-28-26/h20-21H,4-19,22H2,1-3H3