2-[[(6-chloranylpyridin-3-yl)methylamino]-heptylsulfanyl-methylidene]propanedinitrile

Systemtic Name: 2-[[(6-chloranylpyridin-3-yl)methylamino]-heptylsulfanyl-methylidene]propanedinitrile Openeye Name: 2-[[(6-chloro-3-pyridyl)methylamino]-heptylsulfanyl-methylene]propanedinitrile CAS Name: 2-[[(6-chloro-3-pyridinyl)methylamino]-(heptylthio)methylidene]propanedinitrile IUPAC Name: 2-[[(6-chloropyridin-3-yl)methylamino]-heptylsulfanylmethylidene]propanedinitrile Traditional Name: 2-[[(6-chloro-3-pyridyl)methylamino]-(heptylthio)methylene]malononitrile Formula: C17H21ClN4S MolecularWeight: 348.89344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(=C(C#N)C#N)NCC1=CN=C(C=C1)Cl

Isomeric SMILES

CCCCCCCSC(=C(C#N)C#N)NCC1=CN=C(C=C1)Cl

InChI

InChI=1S/C17H21ClN4S/c1-2-3-4-5-6-9-23-17(15(10-19)11-20)22-13-14-7-8-16(18)21-12-14/h7-8,12,22H,2-6,9,13H2,1H3