3-[(4-chloranylphenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-(2-methylallyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-(2-methylallyl)-1H-1,2,4-triazole-5-thione Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NNC1=S)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=C)CN1C(=NNC1=S)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-9(2)7-17-12(15-16-13(17)19)8-18-11-5-3-10(14)4-6-11/h3-6H,1,7-8H2,2H3,(H,16,19)