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

Systemtic Name: 3-[[(3-chlorophenyl)amino]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3-chloroanilino)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloroanilino)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-chloroanilino)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3-chloroanilino)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C16H15ClN4S MolecularWeight: 330.8351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H15ClN4S/c1-11-5-7-14(8-6-11)21-15(19-20-16(21)22)10-18-13-4-2-3-12(17)9-13/h2-9,18H,10H2,1H3,(H,20,22)