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

Systemtic Name: 3-butyl-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-5-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-3-4-11-18-23-19(28-26-18)14-29-21-25-24-20(16-9-7-12-22-13-16)27(21)17-10-6-5-8-15(17)2/h5-10,12-13H,3-4,11,14H2,1-2H3