(3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methyl-piperidine-4-carbonitrile

Systemtic Name: (3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methyl-piperidine-4-carbonitrile Openeye Name: (3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methyl-piperidine-4-carbonitrile CAS Name: (3S,4R)-3-[(4-chlorophenyl)thio]-4-deuterio-1-methyl-4-piperidinecarbonitrile IUPAC Name: (3S,4R)-3-(4-chlorophenyl)sulfanyl-4-deuterio-1-methylpiperidine-4-carbonitrile Traditional Name: (3S,4R)-3-[(4-chlorophenyl)thio]-4-deuterio-1-methyl-isonipecotonitrile Formula: C13H15ClN2S MolecularWeight: 267.795762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)SC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

[2H][C@@]1(CCN(C[C@H]1SC2=CC=C(C=C2)Cl)C)C#N

InChI

InChI=1S/C13H15ClN2S/c1-16-7-6-10(8-15)13(9-16)17-12-4-2-11(14)3-5-12/h2-5,10,13H,6-7,9H2,1H3/t10-,13-/m1/s1/i10D