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

Systemtic Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-14-7-9-16(10-8-14)18-21-17(27-24-18)13-28-20-23-22-19(26)25(20)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,26)