2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C23H30N5OS+ MolecularWeight: 424.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H29N5OS/c1-4-25-13-15-26(16-14-25)17-27-23(30)28(19-11-9-18(2)10-12-19)22(24-27)20-7-5-6-8-21(20)29-3/h5-12H,4,13-17H2,1-3H3/p+1