3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 3-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole CAS Name: 3-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thienyl)-1,2,4-oxadiazole Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NOC(=N4)C5=CSC=C5

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NOC(=N4)C5=CSC=C5

InChI

InChI=1S/C21H22N6OS2/c1-3-7-17(8-4-1)27-19(13-26-10-5-2-6-11-26)23-24-21(27)30-15-18-22-20(28-25-18)16-9-12-29-14-16/h1,3-4,7-9,12,14H,2,5-6,10-11,13,15H2