3-[(4-bromophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-bromophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-bromophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromobenzyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C13H16BrN3OS MolecularWeight: 342.25464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)CC2=CC=C(C=C2)Br

Isomeric SMILES

COCCCN1C(=NNC1=S)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3OS/c1-18-8-2-7-17-12(15-16-13(17)19)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,19)