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

Systemtic Name: 3-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C14H18BrN3OS MolecularWeight: 356.28122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NNC(=S)N2C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NNC(=S)N2C

InChI

InChI=1S/C14H18BrN3OS/c1-8(2)10-6-11(15)9(3)5-12(10)19-7-13-16-17-14(20)18(13)4/h5-6,8H,7H2,1-4H3,(H,17,20)