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

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(2,6-dichlorophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2,6-dichlorobenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C13H15Cl2N3OS MolecularWeight: 332.2487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H15Cl2N3OS/c1-2-3-7-18-12(19)16-17-13(18)20-8-9-10(14)5-4-6-11(9)15/h4-6H,2-3,7-8H2,1H3,(H,16,19)