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

Systemtic Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-isopropylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-p-cumenyl-1,2,4-oxadiazole Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=NO3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=NO3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H27N5OS/c1-14(2)16-9-11-17(12-10-16)20-22-19(27-25-20)13-28-21-24-23-15(3)26(21)18-7-5-4-6-8-18/h9-12,14,18H,4-8,13H2,1-3H3