3-(3,4-dimethoxyphenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-1,2,4-oxadiazole Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC=NN3)OC

InChI

InChI=1S/C13H13N5O3S/c1-19-9-4-3-8(5-10(9)20-2)12-16-11(21-18-12)6-22-13-14-7-15-17-13/h3-5,7H,6H2,1-2H3,(H,14,15,17)