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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CNC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CNC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4S/c17-13-6-8-14(9-7-13)18-10-15-19-20-16(22)21(15)11-12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,20,22)