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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-furyl)-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(furan-2-yl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(2-furyl)-1,2,4-triazole-3-thione Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4OS/c29-23-26(15-18-7-2-1-3-8-18)22(21-11-6-14-28-21)24-27(23)17-25-13-12-19-9-4-5-10-20(19)16-25/h1-11,14H,12-13,15-17H2