4-(2,4-dichlorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,4-dichlorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,4-dichlorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,4-dichlorophenyl)-3-[(4-phenyl-1-piperazinyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,4-dichlorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,4-dichlorophenyl)-3-[(4-phenylpiperazino)methyl]-1H-1,2,4-triazole-5-thione Formula: C19H19Cl2N5S MolecularWeight: 420.35866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NNC(=S)N2C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NNC(=S)N2C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H19Cl2N5S/c20-14-6-7-17(16(21)12-14)26-18(22-23-19(26)27)13-24-8-10-25(11-9-24)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,27)