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

Systemtic Name: 3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O2S/c1-2-7-20-14(21)17-18-15(20)23-9-12-8-13(19-22-12)10-3-5-11(16)6-4-10/h3-6,8H,2,7,9H2,1H3,(H,17,21)