3-(2-methylphenyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(o-tolyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(o-tolyl)-5-[[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-3-13-26-20(16-10-5-4-6-11-16)23-24-21(26)28-14-18-22-19(25-27-18)17-12-8-7-9-15(17)2/h4-12H,3,13-14H2,1-2H3