3-[(4-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorobenzyl)-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C17H16ClN3S/c1-11-3-8-15(12(2)9-11)21-16(19-20-17(21)22)10-13-4-6-14(18)7-5-13/h3-9H,10H2,1-2H3,(H,20,22)