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

Systemtic Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5O2S/c1-27-17-11-9-14(10-12-17)19-22-18(28-25-19)13-29-21-23-20(15-7-8-15)26(24-21)16-5-3-2-4-6-16/h2-6,9-12,15H,7-8,13H2,1H3