3-[(4-bromanyl-2-ethyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-bromanyl-2-ethyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-bromo-2-ethyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromo-2-ethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromo-2-ethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-bromo-2-ethyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C12H14BrN3OS MolecularWeight: 328.22806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC2=NNC(=S)N2C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC2=NNC(=S)N2C

InChI

InChI=1S/C12H14BrN3OS/c1-3-8-6-9(13)4-5-10(8)17-7-11-14-15-12(18)16(11)2/h4-6H,3,7H2,1-2H3,(H,15,18)