5-[[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[[[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-o-phenetyl-1,2,4-oxadiazole Formula: C27H24ClN5O2S MolecularWeight: 518.02976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)C)C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)C)C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H24ClN5O2S/c1-4-34-23-8-6-5-7-22(23)25-29-24(35-32-25)16-36-27-31-30-26(19-10-12-20(28)13-11-19)33(27)21-14-9-17(2)18(3)15-21/h5-15H,4,16H2,1-3H3