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

Systemtic Name: 4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-(phenylmethyl)piperidine-2-carbonitrile Openeye Name: 1-benzyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]piperidine-2-carbonitrile CAS Name: 4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-(phenylmethyl)-2-piperidinecarbonitrile IUPAC Name: 1-benzyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]piperidine-2-carbonitrile Traditional Name: 1-benzyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]pipecolinonitrile Formula: C25H27N3S2 MolecularWeight: 433.63198

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(C2CCN(C(C2)C#N)CC3=CC=CC=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CSC(SC1)(C2CCN(C(C2)C#N)CC3=CC=CC=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H27N3S2/c26-17-22-16-21(11-12-28(22)18-19-7-2-1-3-8-19)25(29-13-6-14-30-25)24-15-20-9-4-5-10-23(20)27-24/h1-5,7-10,15,21-22,27H,6,11-14,16,18H2