(3R)-4-chloranyl-3-methyl-2-[methylsulfanylmethyl-(phenylmethyl)amino]butanenitrile

Systemtic Name: (3R)-4-chloranyl-3-methyl-2-[methylsulfanylmethyl-(phenylmethyl)amino]butanenitrile Openeye Name: (3R)-2-[benzyl(methylsulfanylmethyl)amino]-4-chloro-3-methyl-butanenitrile CAS Name: (3R)-4-chloro-3-methyl-2-[(methylthio)methyl-(phenylmethyl)amino]butanenitrile IUPAC Name: (3R)-2-[benzyl(methylsulfanylmethyl)amino]-4-chloro-3-methylbutanenitrile Traditional Name: (3R)-2-[benzyl-[(methylthio)methyl]amino]-4-chloro-3-methyl-butyronitrile Formula: C14H19ClN2S MolecularWeight: 282.83206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)C(C#N)N(CC1=CC=CC=C1)CSC

Isomeric SMILES

C[C@@H](CCl)C(C#N)N(CC1=CC=CC=C1)CSC

InChI

InChI=1S/C14H19ClN2S/c1-12(8-15)14(9-16)17(11-18-2)10-13-6-4-3-5-7-13/h3-7,12,14H,8,10-11H2,1-2H3/t12-,14?/m0/s1