(2R,4R)-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methyl-piperidine-2-carbonitrile

Systemtic Name: (2R,4R)-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methyl-piperidine-2-carbonitrile Openeye Name: (2R,4R)-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methyl-piperidine-2-carbonitrile CAS Name: (2R,4R)-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methyl-2-piperidinecarbonitrile IUPAC Name: (2R,4R)-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methylpiperidine-2-carbonitrile Traditional Name: (2R,4R)-3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methyl-pipecolinonitrile Formula: C21H27N3S2 MolecularWeight: 385.58918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN(C1C#N)C)C2(SCCCS2)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCC1[C@@H](CCN([C@H]1C#N)C)C2(SCCCS2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H27N3S2/c1-3-16-17(9-10-24(2)19(16)14-22)21(25-11-6-12-26-21)20-13-15-7-4-5-8-18(15)23-20/h4-5,7-8,13,16-17,19,23H,3,6,9-12H2,1-2H3/t16?,17-,19+/m1/s1