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

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

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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