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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]propan-1-one Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3OS/c1-3-10(17)16-12(18-2)14-11(15-16)8-4-6-9(13)7-5-8/h4-7H,3H2,1-2H3