3-[(4-bromophenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromophenyl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromobenzyl)thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C13H16BrN3OS MolecularWeight: 342.25464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3OS/c1-2-3-8-17-12(18)15-16-13(17)19-9-10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,18)