3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c1-2-3-9-14-18-15(24-21-14)12-25-17-20-19-16(23)22(17)11-10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,19,23)