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

Systemtic Name: 3-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(4-methyl-1-piperidyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(4-methyl-1-piperidinyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(4-methylpiperidino)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H27N5OS MolecularWeight: 397.53698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H27N5OS/c1-16-7-9-25(10-8-16)20-23-24-21(26(20)14-19-6-3-11-27-19)28-15-18-5-2-4-17(12-18)13-22/h2,4-5,12,16,19H,3,6-11,14-15H2,1H3