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

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-bromophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-bromobenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H14BrN3OS MolecularWeight: 328.22806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC=C2Br

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC=C2Br

InChI

InChI=1S/C12H14BrN3OS/c1-2-7-16-11(17)14-15-12(16)18-8-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,17)