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

Systemtic Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H26N5S+ MolecularWeight: 392.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCC(=CC2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCC(=CC2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5S/c1-2-14-26-21(20-8-12-23-13-9-20)24-27(22(26)28)17-25-15-10-19(11-16-25)18-6-4-3-5-7-18/h3-10,12-13H,2,11,14-17H2,1H3/p+1