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

Systemtic Name: 3-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(2-bromo-4-propyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-bromo-4-propylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-bromo-4-propylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(2-bromo-4-propyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C15H18BrN3OS MolecularWeight: 368.29192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=NNC(=S)N2CC=C)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=NNC(=S)N2CC=C)Br

InChI

InChI=1S/C15H18BrN3OS/c1-3-5-11-6-7-13(12(16)9-11)20-10-14-17-18-15(21)19(14)8-4-2/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,18,21)