5-tert-butyl-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 5-tert-butyl-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-tert-butyl-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-tert-butyl-3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 5-tert-butyl-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-tert-butyl-3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-22(2,3)20-23-17(27-28-20)14-29-21-24-18(15-10-6-4-7-11-15)19(25-26-21)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3