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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(furan-2-yl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-furyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-furanyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(furan-2-yl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-furyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4OS/c28-22-25(16-24-13-12-17-7-4-5-8-18(17)15-24)23-21(20-11-6-14-27-20)26(22)19-9-2-1-3-10-19/h1-11,14H,12-13,15-16H2