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

Systemtic Name: 3-[(2-bromanyl-4-ethyl-phenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(2-bromo-4-ethyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-bromo-4-ethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-bromo-4-ethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(2-bromo-4-ethyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H16BrN3OS MolecularWeight: 354.26534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=NNC(=S)N2CC=C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=NNC(=S)N2CC=C)Br

InChI

InChI=1S/C14H16BrN3OS/c1-3-7-18-13(16-17-14(18)20)9-19-12-6-5-10(4-2)8-11(12)15/h3,5-6,8H,1,4,7,9H2,2H3,(H,17,20)