4-(2-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-methylpiperazin-1-yl)ethyl]-4-(o-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylphenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-methylpiperazino)ethyl]-4-(o-tolyl)-1H-1,2,4-triazole-5-thione Formula: C16H23N5S MolecularWeight: 317.45232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CCN3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CCN3CCN(CC3)C

InChI

InChI=1S/C16H23N5S/c1-13-5-3-4-6-14(13)21-15(17-18-16(21)22)7-8-20-11-9-19(2)10-12-20/h3-6H,7-12H2,1-2H3,(H,18,22)