2-[[5-(1-methylpiperidin-2-yl)-4-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(1-methylpiperidin-2-yl)-4-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(1-methyl-2-piperidyl)-4-[2-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(1-methyl-2-piperidinyl)-4-[2-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(1-methylpiperidin-2-yl)-4-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(1-methyl-2-piperidyl)-4-(2-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H32N6S MolecularWeight: 424.60538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1C2=NN=C(N2CCN3CCCCC3)SCC4=CC=CC=C4C#N

Isomeric SMILES

CN1CCCCC1C2=NN=C(N2CCN3CCCCC3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H32N6S/c1-27-12-8-5-11-21(27)22-25-26-23(29(22)16-15-28-13-6-2-7-14-28)30-18-20-10-4-3-9-19(20)17-24/h3-4,9-10,21H,2,5-8,11-16,18H2,1H3