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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-(mercaptomethyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(mercaptomethyl)-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)CS

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3OS/c1-2-11(17)16-10(7-18)14-12(15-16)8-3-5-9(13)6-4-8/h3-6,18H,2,7H2,1H3