4-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]butanenitrile

Systemtic Name: 4-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]butanenitrile Openeye Name: 4-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]butanenitrile CAS Name: 4-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]butanenitrile IUPAC Name: 4-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]butanenitrile Traditional Name: 4-[[4-(dimethylaminomethyl)-2-pyridyl]methylthio]butyronitrile Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NC=C1)CSCCCC#N

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)CSCCCC#N

InChI

InChI=1S/C13H19N3S/c1-16(2)10-12-5-7-15-13(9-12)11-17-8-4-3-6-14/h5,7,9H,3-4,8,10-11H2,1-2H3