2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21N5S MolecularWeight: 351.46854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)C4=CC=NC=C4

InChI

InChI=1S/C19H21N5S/c1-2-23-18(16-7-10-20-11-8-16)21-24(19(23)25)14-22-12-9-15-5-3-4-6-17(15)13-22/h3-8,10-11H,2,9,12-14H2,1H3