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

Systemtic Name: 2-[[(6-chloranylpyridin-3-yl)methylamino]-(phenylmethylsulfanyl)methylidene]propanedinitrile Openeye Name: 2-[benzylsulfanyl-[(6-chloro-3-pyridyl)methylamino]methylene]propanedinitrile CAS Name: 2-[[(6-chloro-3-pyridinyl)methylamino]-(phenylmethylthio)methylidene]propanedinitrile IUPAC Name: 2-[benzylsulfanyl-[(6-chloropyridin-3-yl)methylamino]methylidene]propanedinitrile Traditional Name: 2-[(benzylthio)-[(6-chloro-3-pyridyl)methylamino]methylene]malononitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C#N)C#N)NCC2=CN=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC(=C(C#N)C#N)NCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C17H13ClN4S/c18-16-7-6-14(10-21-16)11-22-17(15(8-19)9-20)23-12-13-4-2-1-3-5-13/h1-7,10,22H,11-12H2