3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-(3-pyridyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-(3-pyridinyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-(3-pyridyl)-1H-1,2,4-triazol-5-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3C4=CN=CC=C4

InChI

InChI=1S/C20H20N6O2S/c1-20(2,3)14-8-6-13(7-9-14)17-22-16(28-25-17)12-29-19-24-23-18(27)26(19)15-5-4-10-21-11-15/h4-11H,12H2,1-3H3,(H,23,27)