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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-3-13-26-20(16-7-5-4-6-8-16)23-24-21(26)29-14-18-22-19(25-28-18)15-9-11-17(27-2)12-10-15/h4-12H,3,13-14H2,1-2H3