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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-1,2,4-triazole-3-thione Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H22N4S/c1-16-21-24(20(25)23(16)13-17-7-3-2-4-8-17)15-22-12-11-18-9-5-6-10-19(18)14-22/h2-10H,11-15H2,1H3