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

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 3-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole CAS Name: 3-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thienyl)-1,2,4-oxadiazole Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=NOC(=N3)C4=CSC=C4)N5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=NOC(=N3)C4=CSC=C4)N5CCCCC5

InChI

InChI=1S/C21H22N6O2S2/c1-28-17-8-4-3-7-16(17)27-20(26-10-5-2-6-11-26)23-24-21(27)31-14-18-22-19(29-25-18)15-9-12-30-13-15/h3-4,7-9,12-13H,2,5-6,10-11,14H2,1H3