5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-isopropylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-p-cumenyl-1,2,4-oxadiazole Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-4-27-21(18-8-6-5-7-9-18)24-25-22(27)29-14-19-23-20(26-28-19)17-12-10-16(11-13-17)15(2)3/h5-13,15H,4,14H2,1-3H3