3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,6-dichlorophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,6-dichlorobenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H13Cl2N3OS MolecularWeight: 318.22212

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C12H13Cl2N3OS/c1-2-6-17-11(18)15-16-12(17)19-7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H,15,18)