3-(2-diethylaminoethylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(2-diethylaminoethylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(2-diethylaminoethylsulfanylmethyl)benzonitrile CAS Name: 3-[(2-diethylaminoethylthio)methyl]benzonitrile IUPAC Name: 3-(2-diethylaminoethylsulfanylmethyl)benzonitrile Traditional Name: 3-[(2-diethylaminoethylthio)methyl]benzonitrile Formula: C14H20N2S MolecularWeight: 248.387

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCC1=CC=CC(=C1)C#N

Isomeric SMILES

CCN(CC)CCSCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C14H20N2S/c1-3-16(4-2)8-9-17-12-14-7-5-6-13(10-14)11-15/h5-7,10H,3-4,8-9,12H2,1-2H3