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

Systemtic Name: 3-(4-methylphenyl)-5-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-[[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H23N5OS/c1-19-12-15-21(16-13-19)25-27-24(32-30-25)18-33-26-29-28-23(17-14-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-13,15-16H,14,17-18H2,1H3