4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C27H29N5S MolecularWeight: 455.61766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCC4=CC=CC=C4C3)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCC4=CC=CC=C4C3)C5=CN=CC=C5

InChI

InChI=1S/C27H29N5S/c1-3-20-11-7-12-21(4-2)25(20)32-26(23-13-8-15-28-17-23)29-31(27(32)33)19-30-16-14-22-9-5-6-10-24(22)18-30/h5-13,15,17H,3-4,14,16,18-19H2,1-2H3