4-ethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24N5S+ MolecularWeight: 378.51376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5S/c1-2-25-20(19-8-12-22-13-9-19)23-26(21(25)27)16-24-14-10-18(11-15-24)17-6-4-3-5-7-17/h3-10,12-13H,2,11,14-16H2,1H3/p+1