5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-isopropylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-p-cumenyl-1,2,4-oxadiazole Formula: C22H22N6OS MolecularWeight: 418.51468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C22H22N6OS/c1-14(2)15-5-7-16(8-6-15)20-24-19(29-27-20)13-30-22-26-25-21(28(22)18-9-10-18)17-4-3-11-23-12-17/h3-8,11-12,14,18H,9-10,13H2,1-2H3