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

Systemtic Name: 3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole CAS Name: 3-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thienyl)-1,2,4-oxadiazole Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=NOC(=N2)C3=CSC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=NOC(=N2)C3=CSC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N5O2S2/c1-3-4-10-25-18(14-5-7-16(26-2)8-6-14)22-23-20(25)29-13-17-21-19(27-24-17)15-9-11-28-12-15/h5-9,11-12H,3-4,10,13H2,1-2H3