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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NOC(=N1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c1-12(2)10-14-18-15(24-21-14)11-25-17-20-19-16(23)22(17)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,23)