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

Systemtic Name: 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[2-(4-chlorophenyl)oxazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-chlorophenyl)-4-oxazolyl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-chlorophenyl)oxazol-4-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=COC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=COC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c21-16-8-6-15(7-9-16)18-22-17(12-27-18)13-28-20-24-23-19(26)25(20)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,23,26)