4-ethyl-5-(4-methoxyphenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(4-methoxyphenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(4-methoxyphenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(4-methoxyphenyl)-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(4-methoxyphenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(4-methoxyphenyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H28N6OS+2 MolecularWeight: 412.55162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N6OS/c1-3-26-20(17-4-6-19(28-2)7-5-17)23-27(21(26)29)16-24-12-14-25(15-13-24)18-8-10-22-11-9-18/h4-11H,3,12-16H2,1-2H3/p+2