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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N5OS/c21-13-16-7-2-3-8-17(16)15-27-20-23-22-19(24-10-4-1-5-11-24)25(20)14-18-9-6-12-26-18/h2-3,6-9,12H,1,4-5,10-11,14-15H2