2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4,6-dipiperidino-s-triazin-2-yl)thio]methyl]benzonitrile Formula: C21H26N6S MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)SCC3=CC=CC=C3C#N)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)SCC3=CC=CC=C3C#N)N4CCCCC4

InChI

InChI=1S/C21H26N6S/c22-15-17-9-3-4-10-18(17)16-28-21-24-19(26-11-5-1-6-12-26)23-20(25-21)27-13-7-2-8-14-27/h3-4,9-10H,1-2,5-8,11-14,16H2