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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromophenyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromobenzyl)thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)Br

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3O2S/c1-19-8-2-7-17-12(18)15-16-13(17)20-9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,18)