5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-naphthalen-1-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-naphthalen-1-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(1-naphthyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-4-(1-naphthalenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-naphthalen-1-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(1-naphthyl)-1,2,4-triazole-3-thiolate Formula: C19H23N5S MolecularWeight: 353.48442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCC2=NN=C(N2C3=CC=CC4=CC=CC=C43)[S-]

Isomeric SMILES

CN1CC[NH+](CC1)CCC2=NN=C(N2C3=CC=CC4=CC=CC=C43)[S-]

InChI

InChI=1S/C19H23N5S/c1-22-11-13-23(14-12-22)10-9-18-20-21-19(25)24(18)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3,(H,21,25)