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

Systemtic Name: 5-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(diphenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-(diphenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C25H27N5OS/c1-30-24(20-15-9-4-10-16-20)27-28-25(30)32-17-21-26-23(29-31-21)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20,22H,4,9-10,15-17H2,1H3