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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2S/c1-16-7-6-13(10(8-15)9-16)17-12-4-2-11(14)3-5-12/h2-5,10,13H,6-7,9H2,1H3/t10-,13-/m0/s1/i10D