1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c1-2-12-26-20(17-7-10-22-11-8-17)23-24-21(26)28-15-19(27)25-13-9-16-5-3-4-6-18(16)14-25/h2-8,10-11H,1,9,12-15H2