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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NOC(=N1)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

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