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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-methyl-1-piperidyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-methyl-1-piperidinyl)-4-(2-oxolanylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-methylpiperidino)-4-(tetrahydrofurfuryl)-1,2,4-triazole-3-thione Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN(C(=S)N2CC3CCCO3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1CCN(CC1)C2=NN(C(=S)N2CC3CCCO3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H33N5OS/c1-18-8-12-26(13-9-18)22-24-28(23(30)27(22)16-21-7-4-14-29-21)17-25-11-10-19-5-2-3-6-20(19)15-25/h2-3,5-6,18,21H,4,7-17H2,1H3