2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole-3-thione Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)COC4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCC3=CC=CC=C3C2)COC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c1-2-12-26-21(15-28-20-9-7-19(23)8-10-20)24-27(22(26)29)16-25-13-11-17-5-3-4-6-18(17)14-25/h2-10H,1,11-16H2