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

Systemtic Name: 3-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(1-piperidyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-oxolanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-piperidino-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H25N5OS/c21-13-16-6-4-7-17(12-16)15-27-20-23-22-19(24-9-2-1-3-10-24)25(20)14-18-8-5-11-26-18/h4,6-7,12,18H,1-3,5,8-11,14-15H2