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

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-11-2-6-13(7-3-11)20-15(18-19-16(20)22)10-21-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,19,22)