5-(4-chlorophenyl)-4-ethyl-2-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-[(4-isopentylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-[[4-(3-methylbutyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-[(4-isoamylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C20H30ClN5S MolecularWeight: 408.0037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CCC(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CCC(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H30ClN5S/c1-4-25-19(17-5-7-18(21)8-6-17)22-26(20(25)27)15-24-13-11-23(12-14-24)10-9-16(2)3/h5-8,16H,4,9-15H2,1-3H3