4-propyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-propyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-propyl-5-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-propyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-propyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-propyl-5-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H24N5S+ MolecularWeight: 366.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=NC=C4

InChI

InChI=1S/C20H23N5S/c1-2-12-24-19(17-7-10-21-11-8-17)22-25(20(24)26)15-23-13-9-16-5-3-4-6-18(16)14-23/h3-8,10-11H,2,9,12-15H2,1H3/p+1