3-[3-(4-chloranylphenoxy)propylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[3-(4-chloranylphenoxy)propylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[3-(4-chlorophenoxy)propylthio]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[3-(4-chlorophenoxy)propylthio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=O)NN=C1SCCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3O2S/c1-16-11(17)14-15-12(16)19-8-2-7-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,17)