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

Systemtic Name: 4-cyclopropyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22N5S+ MolecularWeight: 364.48718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCC4=CC=CC=C4C3)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCC4=CC=CC=C4C3)C5=CC=NC=C5

InChI

InChI=1S/C20H21N5S/c26-20-24(14-23-12-9-15-3-1-2-4-17(15)13-23)22-19(25(20)18-5-6-18)16-7-10-21-11-8-16/h1-4,7-8,10-11,18H,5-6,9,12-14H2/p+1