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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN(C1C#N)C)C2=C(NC3=CC=CC=C32)C4SCCCS4

Isomeric SMILES

CC[C@H]1[C@H](CCN([C@@H]1C#N)C)C2=C(NC3=CC=CC=C32)C4SCCCS4

InChI

InChI=1S/C21H27N3S2/c1-3-14-15(9-10-24(2)18(14)13-22)19-16-7-4-5-8-17(16)23-20(19)21-25-11-6-12-26-21/h4-5,7-8,14-15,18,21,23H,3,6,9-12H2,1-2H3/t14-,15-,18+/m0/s1