2-[(prop-2-enylamino)-(pyridin-4-ylmethylsulfanyl)methylidene]propanedinitrile

Systemtic Name: 2-[(prop-2-enylamino)-(pyridin-4-ylmethylsulfanyl)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-(4-pyridylmethylsulfanyl)methylene]propanedinitrile CAS Name: 2-[(prop-2-enylamino)-(pyridin-4-ylmethylthio)methylidene]propanedinitrile IUPAC Name: 2-[(prop-2-enylamino)-(pyridin-4-ylmethylsulfanyl)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-(4-pyridylmethylthio)methylene]malononitrile Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C#N)C#N)SCC1=CC=NC=C1

Isomeric SMILES

C=CCNC(=C(C#N)C#N)SCC1=CC=NC=C1

InChI

InChI=1S/C13H12N4S/c1-2-5-17-13(12(8-14)9-15)18-10-11-3-6-16-7-4-11/h2-4,6-7,17H,1,5,10H2