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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]butan-1-one Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C13H14ClN3OS/c1-3-4-11(18)17-13(19-2)15-12(16-17)9-5-7-10(14)8-6-9/h5-8H,3-4H2,1-2H3